# Minimized with a chisquare of 0.064006. ################################################################################ # # File: G_riboseC3endo_O3H_O5P_anti_+sc # Date: 08-Dec-97 18:38:19 # # This file was created by software developed by the # Nucleic Acid Database Project # # H. M. Berman, W. K. Olson, D. L. Beveridge, J. D. Westbrook, A. Gelbin, # T. Demeny, S. H. Shieh, A. R. Srinivasan, and B. Schneider. (1992). # The Nucleic Acid Database: A Comprehensive Relational Database of # Three-Dimensional Structures of Nucleic Acids. Biophys J., 63, 751-759. # # Questions or comments should be directed to: # # # ndbadmin@ndbserver.rutgers.edu # ################################################################################ data_G_riboseC3endo_O3H_O5P_anti_+sc # _chem_comp.id G_riboseC3endo_O3H_O5P_anti_+sc _chem_comp.name 'guanosine-5'-phosphate' _chem_comp.type 'RNA linking' _chem_comp.model_details ;Model constructed for guanosine-5'-phosphate from subcomponents for base, sugar and phosphate. The sugar is ribose in the C3'-endo conformation, and geometries for the gamma torsion angle (synclinal), the chi torsion angle (antiperiplanar), and the C3*-O3* and C5*-O5* bonds are inserted from other models. ; _chem_comp.parent . _chem_comp.formula 'H10 C10 N5 O8 P1 ' _chem_comp.formula_weight 359.22 _chem_comp.number_atoms_all 34 _chem_comp.number_atoms_nh 24 _chem_comp.ndb_formal_charge -2 # loop_ _ndb_composite.comp_id _ndb_composite.sub_comp_id _ndb_composite.sub_type _ndb_composite.details G_riboseC3endo_O3H_O5P_anti_+sc gua base 'Model constructed for guanine with an N9-glycosidic linkage.' G_riboseC3endo_O3H_O5P_anti_+sc ribose_C3endo_O3H_O5P_+sc sugar ;Model constructed for 1'-amino-ribose in the C3'-endo conformation. the gamma torsion (synclinal), the corresponding O4*-C4*-C5*-O5* torsion, and the C3*-O3* and C5*-O5* bond geometries are inserted from other models. ; G_riboseC3endo_O3H_O5P_anti_+sc PO4 phosphate . # loop_ _chem_comp_link.link_id _chem_comp_link.type_comp_1 _chem_comp_link.type_comp_2 _chem_comp_link.ndb_comp_id_comp_1 _chem_comp_link.ndb_comp_id_comp_2 all_ribose_purine sugar base ribose_C3endo_O3H_O5P_+sc gua ribose_O5_PO4 sugar phosphate ribose_C3endo_O3H_O5P_+sc PO4 # loop_ _ndb_dbsearch.db _ndb_dbsearch.sample_size _ndb_dbsearch.id _ndb_dbsearch.dbversion _ndb_dbsearch.time _ndb_dbsearch.dbreleasedate _ndb_dbsearch.comp_id csd 27 gua 512 ;Mon Dec 8 13:23:47 1997 ; 'Sep 15 19:34:11 BST 1996' G_riboseC3endo_O3H_O5P_anti_+sc csd 26 ribose 512 ;Mon Dec 8 13:30:59 1997 ; 'Sep 15 19:34:11 BST 1996' G_riboseC3endo_O3H_O5P_anti_+sc csd 23 ribose_C3endo_O3H 512 ;Mon Dec 8 13:40:25 1997 ; 'Sep 15 19:34:11 BST 1996' G_riboseC3endo_O3H_O5P_anti_+sc csd 19 ribose_O5P 512 ;Mon Dec 8 13:49:41 1997 ; 'Sep 15 19:34:11 BST 1996' G_riboseC3endo_O3H_O5P_anti_+sc csd 94 all_ribose_gamma 512 ;Mon Dec 8 14:31:38 1997 ; 'Sep 15 19:34:11 BST 1996' G_riboseC3endo_O3H_O5P_anti_+sc ndb 15 PO4_1 . . . G_riboseC3endo_O3H_O5P_anti_+sc csd 10 C3endo_ribose_purine 512 'Tue Jul 1 22:59:58 1997' 'Sep 15 19:34:11 BST 1996' G_riboseC3endo_O3H_O5P_anti_+sc csd 12 C3endo_purine_anti . . . G_riboseC3endo_O3H_O5P_anti_+sc ndb 15 phosphate_O5_1 . . . G_riboseC3endo_O3H_O5P_anti_+sc # loop_ _chem_comp_atom.comp_id _chem_comp_atom.atom_id _chem_comp_atom.type_symbol _chem_comp_atom.substruct_code _chem_comp_atom.charge _chem_comp_atom.model_cartn_x _chem_comp_atom.model_cartn_y _chem_comp_atom.model_cartn_z G_riboseC3endo_O3H_O5P_anti_+sc N1 N base 0 6.3172 6.5940 2.8379 G_riboseC3endo_O3H_O5P_anti_+sc C2 C base 0 5.4452 7.2958 2.0460 G_riboseC3endo_O3H_O5P_anti_+sc N3 N base 0 4.3666 6.7701 1.4895 G_riboseC3endo_O3H_O5P_anti_+sc C4 C base 0 4.2207 5.4646 1.8065 G_riboseC3endo_O3H_O5P_anti_+sc C5 C base 0 5.0329 4.6737 2.5928 G_riboseC3endo_O3H_O5P_anti_+sc C6 C base 0 6.1908 5.2491 3.1715 G_riboseC3endo_O3H_O5P_anti_+sc N7 N base 0 4.6013 3.3561 2.5744 G_riboseC3endo_O3H_O5P_anti_+sc C8 C base 0 3.5562 3.3680 1.7917 G_riboseC3endo_O3H_O5P_anti_+sc N9 N base 0 3.2718 4.6141 1.2888 G_riboseC3endo_O3H_O5P_anti_+sc N2 N base 0 5.7399 8.5883 1.8477 G_riboseC3endo_O3H_O5P_anti_+sc O6 O base 0 7.0368 4.7091 3.8962 G_riboseC3endo_O3H_O5P_anti_+sc H8 H base 0 . . . G_riboseC3endo_O3H_O5P_anti_+sc HA2 H base 0 . . . G_riboseC3endo_O3H_O5P_anti_+sc HB2 H base 0 . . . G_riboseC3endo_O3H_O5P_anti_+sc C1* C sugar 0 2.0231 5.0444 0.6393 G_riboseC3endo_O3H_O5P_anti_+sc C2* C sugar 0 2.2509 5.6056 -0.7656 G_riboseC3endo_O3H_O5P_anti_+sc C3* C sugar 0 2.0405 4.3558 -1.6172 G_riboseC3endo_O3H_O5P_anti_+sc C4* C sugar 0 0.9172 3.6476 -0.8785 G_riboseC3endo_O3H_O5P_anti_+sc C5* C sugar 0 0.8284 2.1602 -1.1001 G_riboseC3endo_O3H_O5P_anti_+sc O2* O sugar 0 1.2329 6.5588 -1.0337 G_riboseC3endo_O3H_O5P_anti_+sc O3* O sugar 0 1.7130 4.6360 -2.9631 G_riboseC3endo_O3H_O5P_anti_+sc O4* O sugar 0 1.1848 3.9199 0.5192 G_riboseC3endo_O3H_O5P_anti_+sc O5* O sugar 0 2.1144 1.5448 -0.8703 G_riboseC3endo_O3H_O5P_anti_+sc HA1* H sugar 0 . . . G_riboseC3endo_O3H_O5P_anti_+sc HA2* H sugar 0 . . . G_riboseC3endo_O3H_O5P_anti_+sc HAO2* H sugar 0 . . . G_riboseC3endo_O3H_O5P_anti_+sc HA3* H sugar 0 . . . G_riboseC3endo_O3H_O5P_anti_+sc HA4* H sugar 0 . . . G_riboseC3endo_O3H_O5P_anti_+sc HA5* H sugar 0 . . . G_riboseC3endo_O3H_O5P_anti_+sc HB5* H sugar 0 . . . G_riboseC3endo_O3H_O5P_anti_+sc P P phosphate 0 2.2353 -0.0133 -0.5612 G_riboseC3endo_O3H_O5P_anti_+sc O1P O phosphate 0 3.6109 -0.3471 -0.1123 G_riboseC3endo_O3H_O5P_anti_+sc O2P O phosphate -1 1.0787 -0.4719 0.2496 G_riboseC3endo_O3H_O5P_anti_+sc O O phosphate -1 2.0615 -0.6445 -1.8939 # loop_ _chem_comp_chir.comp_id _chem_comp_chir.id _chem_comp_chir.atom_id _chem_comp_chir.number_atoms_all _chem_comp_chir.number_atoms_nh _chem_comp_chir.volume_flag _chem_comp_chir.volume_three _chem_comp_chir.volume_three_esd _chem_comp_chir.ndb_plane_flag _chem_comp_chir.ndb_plane_three _chem_comp_chir.ndb_plane_three_esd G_riboseC3endo_O3H_O5P_anti_+sc 1 C1* 4 3 sign 2.46 0.06 sign 53.98 1.12 G_riboseC3endo_O3H_O5P_anti_+sc 2 C2* 4 3 sign -2.78 0.05 sign -58.69 1.70 G_riboseC3endo_O3H_O5P_anti_+sc 3 C3* 4 3 sign -2.50 0.08 sign -51.22 2.20 G_riboseC3endo_O3H_O5P_anti_+sc 4 C4* 4 3 sign 2.49 0.06 sign 50.79 1.30 # loop_ _chem_comp_chir_atom.chir_id _chem_comp_chir_atom.enum _chem_comp_chir_atom.comp_id _chem_comp_chir_atom.atom_id 1 1 G_riboseC3endo_O3H_O5P_anti_+sc O4* 1 2 G_riboseC3endo_O3H_O5P_anti_+sc C2* 1 3 G_riboseC3endo_O3H_O5P_anti_+sc N 2 1 G_riboseC3endo_O3H_O5P_anti_+sc C1* 2 2 G_riboseC3endo_O3H_O5P_anti_+sc C3* 2 3 G_riboseC3endo_O3H_O5P_anti_+sc O2* 3 1 G_riboseC3endo_O3H_O5P_anti_+sc C2* 3 2 G_riboseC3endo_O3H_O5P_anti_+sc C4* 3 3 G_riboseC3endo_O3H_O5P_anti_+sc O3* 4 1 G_riboseC3endo_O3H_O5P_anti_+sc C3* 4 2 G_riboseC3endo_O3H_O5P_anti_+sc O4* 4 3 G_riboseC3endo_O3H_O5P_anti_+sc C5* # loop_ _chem_comp_bond.comp_id _chem_comp_bond.atom_id_1 _chem_comp_bond.atom_id_2 _chem_comp_bond.value_order _chem_comp_bond.value_dist _chem_comp_bond.value_dist_esd G_riboseC3endo_O3H_O5P_anti_+sc N1 C2 sing 1.3717 0.0089 G_riboseC3endo_O3H_O5P_anti_+sc C2 N3 doub 1.3232 0.0096 G_riboseC3endo_O3H_O5P_anti_+sc N3 C4 sing 1.3512 0.0084 G_riboseC3endo_O3H_O5P_anti_+sc C4 C5 doub 1.3792 0.0073 G_riboseC3endo_O3H_O5P_anti_+sc C5 C6 sing 1.4166 0.0092 G_riboseC3endo_O3H_O5P_anti_+sc C6 N1 sing 1.3916 0.0081 G_riboseC3endo_O3H_O5P_anti_+sc C5 N7 sing 1.3867 0.0067 G_riboseC3endo_O3H_O5P_anti_+sc N7 C8 doub 1.3063 0.0077 G_riboseC3endo_O3H_O5P_anti_+sc C8 N9 sing 1.3736 0.0082 G_riboseC3endo_O3H_O5P_anti_+sc N9 C4 sing 1.3751 0.0083 G_riboseC3endo_O3H_O5P_anti_+sc C2 N2 sing 1.3403 0.0096 G_riboseC3endo_O3H_O5P_anti_+sc C6 O6 doub 1.2379 0.0090 G_riboseC3endo_O3H_O5P_anti_+sc C8 H8 sing . . G_riboseC3endo_O3H_O5P_anti_+sc N2 HA2 sing . . G_riboseC3endo_O3H_O5P_anti_+sc N2 HB2 sing . . G_riboseC3endo_O3H_O5P_anti_+sc C1* C2* sing 1.5301 0.0131 G_riboseC3endo_O3H_O5P_anti_+sc C1* HA1* sing 1.516 0.008 G_riboseC3endo_O3H_O5P_anti_+sc C2* C3* sing 1.5271 0.0074 G_riboseC3endo_O3H_O5P_anti_+sc C2* HA2* sing 1.516 0.008 G_riboseC3endo_O3H_O5P_anti_+sc C3* C4* sing 1.5196 0.0121 G_riboseC3endo_O3H_O5P_anti_+sc C3* HA3* sing 1.516 0.008 G_riboseC3endo_O3H_O5P_anti_+sc C4* O4* sing 1.4489 0.0094 G_riboseC3endo_O3H_O5P_anti_+sc C4* HA4* sing 1.516 0.008 G_riboseC3endo_O3H_O5P_anti_+sc O4* C1* sing 1.4076 0.0078 G_riboseC3endo_O3H_O5P_anti_+sc C2* O2* sing 1.4201 0.0094 G_riboseC3endo_O3H_O5P_anti_+sc O2* HAO2* sing 1.435 0.013 G_riboseC3endo_O3H_O5P_anti_+sc C3* O3* sing 1.4132 0.0049 G_riboseC3endo_O3H_O5P_anti_+sc C5* C4* sing 1.5065 0.0081 G_riboseC3endo_O3H_O5P_anti_+sc C5* O5* sing 1.4439 0.0100 G_riboseC3endo_O3H_O5P_anti_+sc C5* HA5* sing 1.516 0.008 G_riboseC3endo_O3H_O5P_anti_+sc C5* HB5* sing 1.516 0.008 G_riboseC3endo_O3H_O5P_anti_+sc P O1P doub 1.485 0.017 G_riboseC3endo_O3H_O5P_anti_+sc P O2P sing 1.485 0.017 G_riboseC3endo_O3H_O5P_anti_+sc P O sing 1.485 0.017 # loop_ _chem_link_bond.link_id _chem_link_bond.atom_id_1 _chem_link_bond.atom_id_2 _chem_link_bond.atom_1_comp_id _chem_link_bond.atom_2_comp_id _chem_link_bond.value_order _chem_link_bond.value_dist _chem_link_bond.value_dist_esd ribose_purine C1* N9 1 2 sing 1.4722 0.0124 ribose_O5_PO4 P O5* 2 1 sing 1.593 0.010 # loop_ _chem_comp_angle.comp_id _chem_comp_angle.atom_id_1 _chem_comp_angle.atom_id_2 _chem_comp_angle.atom_id_3 _chem_comp_angle.value_angle _chem_comp_angle.value_angle_esd _chem_comp_angle.value_dist _chem_comp_angle.value_dist_esd G_riboseC3endo_O3H_O5P_anti_+sc C6 N1 C2 125.09 0.66 2.45 0.01 G_riboseC3endo_O3H_O5P_anti_+sc N1 C2 N3 123.93 0.56 2.38 0.01 G_riboseC3endo_O3H_O5P_anti_+sc C2 N3 C4 111.87 0.61 2.22 0.01 G_riboseC3endo_O3H_O5P_anti_+sc N3 C4 C5 128.61 0.66 2.46 0.01 G_riboseC3endo_O3H_O5P_anti_+sc C4 C5 C6 118.80 0.68 2.41 0.01 G_riboseC3endo_O3H_O5P_anti_+sc C5 C6 N1 111.60 0.61 2.32 0.01 G_riboseC3endo_O3H_O5P_anti_+sc C4 C5 N7 110.76 0.51 2.28 0.01 G_riboseC3endo_O3H_O5P_anti_+sc C5 N7 C8 104.36 0.59 2.13 0.01 G_riboseC3endo_O3H_O5P_anti_+sc N7 C8 N9 113.12 0.67 2.24 0.01 G_riboseC3endo_O3H_O5P_anti_+sc C8 N9 C4 106.33 0.49 2.20 0.01 G_riboseC3endo_O3H_O5P_anti_+sc N9 C4 C5 105.41 0.42 2.19 0.01 G_riboseC3endo_O3H_O5P_anti_+sc N3 C4 N9 125.96 0.79 2.43 0.01 G_riboseC3endo_O3H_O5P_anti_+sc C6 C5 N7 130.42 0.66 2.54 0.01 G_riboseC3endo_O3H_O5P_anti_+sc N1 C2 N2 116.07 0.91 2.30 0.01 G_riboseC3endo_O3H_O5P_anti_+sc C6 C2 N2 143.71 0.76 3.62 0.01 G_riboseC3endo_O3H_O5P_anti_+sc N1 C6 O6 120.01 0.73 2.28 0.01 G_riboseC3endo_O3H_O5P_anti_+sc C5 C6 O6 128.36 0.66 2.39 0.01 G_riboseC3endo_O3H_O5P_anti_+sc C1* C2* C3* 101.03 0.80 2.36 0.02 G_riboseC3endo_O3H_O5P_anti_+sc C2* C3* C4* 102.21 1.01 2.37 0.02 G_riboseC3endo_O3H_O5P_anti_+sc C3* C4* O4* 104.10 0.66 2.34 0.01 G_riboseC3endo_O3H_O5P_anti_+sc C4* O4* C1* 109.97 0.70 2.34 0.01 G_riboseC3endo_O3H_O5P_anti_+sc O4* C1* C2* 107.59 0.65 2.37 0.01 G_riboseC3endo_O3H_O5P_anti_+sc C1* C2* O2* 108.24 1.82 2.39 0.03 G_riboseC3endo_O3H_O5P_anti_+sc C3* C2* O2* 110.24 1.94 2.42 0.03 G_riboseC3endo_O3H_O5P_anti_+sc C2* C3* O3* 113.59 1.53 2.46 0.02 G_riboseC3endo_O3H_O5P_anti_+sc C4* C3* O3* 112.68 1.76 2.44 0.03 G_riboseC3endo_O3H_O5P_anti_+sc C5* C4* C3* 115.79 1.39 2.56 0.02 G_riboseC3endo_O3H_O5P_anti_+sc C5* C4* O4* 109.78 1.07 2.42 0.02 G_riboseC3endo_O3H_O5P_anti_+sc O5* C5* C4* 110.66 2.05 2.41 0.03 G_riboseC3endo_O3H_O5P_anti_+sc O1P P O2P 119.6 1.5 . . G_riboseC3endo_O3H_O5P_anti_+sc O1P P O 108.3 3.2 . . G_riboseC3endo_O3H_O5P_anti_+sc O2P P O 107.3 3.2 . . # loop_ _chem_link_angle.link_id _chem_link_angle.atom_id_1 _chem_link_angle.atom_id_2 _chem_link_angle.atom_id_3 _chem_link_angle.atom_1_comp_id _chem_link_angle.atom_2_comp_id _chem_link_angle.atom_3_comp_id _chem_link_angle.value_angle _chem_link_angle.value_angle_esd _chem_link_angle.value_dist _chem_link_angle.value_dist_esd ribose_purine C4 N9 C1* 2 2 1 125.591 1.165644 2.528 0.015 ribose_purine C8 N9 C1* 2 2 1 127.981 1.182104 2.554 0.019 ribose_purine N9 C1* C2* 2 1 1 112.573 1.208603 2.499 0.019 ribose_purine N9 C1* O4* 2 1 1 108.12 0.9 2.325 0.011 ribose_O5_PO4 P O5* C5* 2 1 1 120.9 1.6 . . ribose_O5_PO4 O1P P O5* 2 2 1 110.7 1.2 . . ribose_O5_PO4 O2P P O5* 2 2 1 110.7 1.2 . . ribose_O5_PO4 O P O5* 2 2 1 104.0 1.9 . . # loop_ _chem_comp_tor.comp_id _chem_comp_tor.id _chem_comp_tor.atom_id_1 _chem_comp_tor.atom_id_2 _chem_comp_tor.atom_id_3 _chem_comp_tor.atom_id_4 G_riboseC3endo_O3H_O5P_anti_+sc N1-C2-N3-C4 N1 C2 N3 C4 G_riboseC3endo_O3H_O5P_anti_+sc C2-N3-C4-C5 C2 N3 C4 C5 G_riboseC3endo_O3H_O5P_anti_+sc N3-C4-C5-C6 N3 C4 C5 C6 G_riboseC3endo_O3H_O5P_anti_+sc C4-C5-C6-N1 C4 C5 C6 N1 G_riboseC3endo_O3H_O5P_anti_+sc C5-C6-N1-C2 C5 C6 N1 C2 G_riboseC3endo_O3H_O5P_anti_+sc C6-N1-C2-N3 C6 N1 C2 N3 G_riboseC3endo_O3H_O5P_anti_+sc N9-C4-C5-N7 N9 C4 C5 N7 G_riboseC3endo_O3H_O5P_anti_+sc C4-C5-N7-C8 C4 C5 N7 C8 G_riboseC3endo_O3H_O5P_anti_+sc C5-N7-C8-N9 C5 N7 C8 N9 G_riboseC3endo_O3H_O5P_anti_+sc N7-C8-N9-C4 N7 C8 N9 C4 G_riboseC3endo_O3H_O5P_anti_+sc C8-N9-C4-C5 C8 N9 C4 C5 G_riboseC3endo_O3H_O5P_anti_+sc C6-N1-C2-N2 C6 N1 C2 N2 G_riboseC3endo_O3H_O5P_anti_+sc C2-N1-C6-O6 C2 N1 C6 O6 G_riboseC3endo_O3H_O5P_anti_+sc C4*-O4*-C1*-C2* C4* O4* C1* C2* G_riboseC3endo_O3H_O5P_anti_+sc O4*-C1*-C2*-C3* O4* C1* C2* C3* G_riboseC3endo_O3H_O5P_anti_+sc C1*-C2*-C3*-C4* C1* C2* C3* C4* G_riboseC3endo_O3H_O5P_anti_+sc C2*-C3*-C4*-O4* C2* C3* C4* O4* G_riboseC3endo_O3H_O5P_anti_+sc C3*-C4*-O4*-C1* C3* C4* O4* C1* G_riboseC3endo_O3H_O5P_anti_+sc C2*-C3*-C4*-C5* C2* C3* C4* C5* G_riboseC3endo_O3H_O5P_anti_+sc C3*-C4*-C5*-O5* C3* C4* C5* O5* G_riboseC3endo_O3H_O5P_anti_+sc O3*-C3*-C4*-C5* O3* C3* C4* C5* G_riboseC3endo_O3H_O5P_anti_+sc O4*-C4*-C3*-O3* O4* C4* C3* O3* G_riboseC3endo_O3H_O5P_anti_+sc O4*-C4*-C5*-O5* O4* C4* C5* O5* G_riboseC3endo_O3H_O5P_anti_+sc C5*-C4*-O4*-C1* C5* C4* O4* C1* G_riboseC3endo_O3H_O5P_anti_+sc C1*-C2*-C3*-O3* C1* C2* C3* O3* G_riboseC3endo_O3H_O5P_anti_+sc O3*-C3*-C2*-O2* O3* C3* C2* O2* # _chem_link_tor.link_id ribose_purine _chem_link_tor.id chi_anti_C3endo_purine _chem_link_tor.atom_id_1 O4* _chem_link_tor.atom_id_2 C1* _chem_link_tor.atom_id_3 N9 _chem_link_tor.atom_id_4 C4 _chem_link_tor.atom_1_comp_id 1 _chem_link_tor.atom_2_comp_id 1 _chem_link_tor.atom_3_comp_id 2 _chem_link_tor.atom_4_comp_id 2 # loop_ _chem_comp_tor_value.comp_id _chem_comp_tor_value.tor_id _chem_comp_tor_value.angle _chem_comp_tor_value.angle_esd _chem_comp_tor_value.dist _chem_comp_tor_value.dist_esd G_riboseC3endo_O3H_O5P_anti_+sc N1-C2-N3-C4 0.69 1.98 2.60 0.01 G_riboseC3endo_O3H_O5P_anti_+sc C2-N3-C4-C5 359.60 1.63 2.71 0.01 G_riboseC3endo_O3H_O5P_anti_+sc N3-C4-C5-C6 359.84 1.97 2.91 0.01 G_riboseC3endo_O3H_O5P_anti_+sc C4-C5-C6-N1 0.43 1.95 2.60 0.01 G_riboseC3endo_O3H_O5P_anti_+sc C5-C6-N1-C2 359.81 2.66 2.71 0.01 G_riboseC3endo_O3H_O5P_anti_+sc C6-N1-C2-N3 359.56 3.03 2.91 0.01 G_riboseC3endo_O3H_O5P_anti_+sc N9-C4-C5-N7 359.75 1.10 2.24 0.01 G_riboseC3endo_O3H_O5P_anti_+sc C4-C5-N7-C8 0.08 0.93 2.20 0.01 G_riboseC3endo_O3H_O5P_anti_+sc C5-N7-C8-N9 0.13 0.75 2.19 0.01 G_riboseC3endo_O3H_O5P_anti_+sc N7-C8-N9-C4 359.71 0.86 2.28 0.01 G_riboseC3endo_O3H_O5P_anti_+sc C8-N9-C4-C5 0.31 1.00 2.13 0.01 G_riboseC3endo_O3H_O5P_anti_+sc C6-N1-C2-N2 179.75 2.47 3.62 0.01 G_riboseC3endo_O3H_O5P_anti_+sc C2-N1-C6-O6 179.98 2.41 3.56 0.01 G_riboseC3endo_O3H_O5P_anti_+sc C4*-O4*-C1*-C2* 3.53 4.87 2.37 0.02 G_riboseC3endo_O3H_O5P_anti_+sc O4*-C1*-C2*-C3* 334.37 3.95 2.34 0.01 G_riboseC3endo_O3H_O5P_anti_+sc C1*-C2*-C3*-C4* 36.70 2.48 2.34 0.01 G_riboseC3endo_O3H_O5P_anti_+sc C2*-C3*-C4*-O4* 324.20 2.68 2.37 0.01 G_riboseC3endo_O3H_O5P_anti_+sc C3*-C4*-O4*-C1* 20.45 4.27 2.36 0.02 G_riboseC3endo_O3H_O5P_anti_+sc C2*-C3*-C4*-C5* 203.61 2.82 3.74 0.01 G_riboseC3endo_O3H_O5P_anti_+sc C3*-C4*-C5*-O5* 52.19 4.95 2.93 0.07 G_riboseC3endo_O3H_O5P_anti_+sc O3*-C3*-C4*-C5* 81.27 3.80 3.23 0.03 G_riboseC3endo_O3H_O5P_anti_+sc O4*-C4*-C3*-O3* 201.87 3.83 3.60 0.02 G_riboseC3endo_O3H_O5P_anti_+sc O4*-C4*-C5*-O5* 293.22 4.75 2.91 0.07 G_riboseC3endo_O3H_O5P_anti_+sc C5*-C4*-O4*-C1* 145.01 4.68 3.57 0.02 G_riboseC3endo_O3H_O5P_anti_+sc C1*-C2*-C3*-O3* 158.39 3.34 3.64 0.02 G_riboseC3endo_O3H_O5P_anti_+sc O3*-C3*-C2*-O2* 44.06 3.47 2.77 0.05 # _chem_link_tor_value.link_id ribose_purine _chem_link_tor_value.tor_id chi_anti_C3endo_purine _chem_link_tor_value.angle 193.3 _chem_link_tor_value.angle_esd 14.0 _chem_link_tor_value.dist . _chem_link_tor_value.dist_esd . # loop_ _ndb_chem_comp_bond.comp_id _ndb_chem_comp_bond.atom_id_1 _ndb_chem_comp_bond.atom_id_2 _ndb_chem_comp_bond.csd_bond_order _ndb_chem_comp_bond.dbsearch_id _ndb_chem_comp_bond.value_dist_calc _ndb_chem_comp_bond.value_dist _ndb_chem_comp_bond.value_dist_delta G_riboseC3endo_O3H_O5P_anti_+sc N1 C2 '1,2,5 ' gua 1.3711 1.3717 0.0006 G_riboseC3endo_O3H_O5P_anti_+sc C2 N3 '1,2,5 ' gua 1.3227 1.3232 0.0005 G_riboseC3endo_O3H_O5P_anti_+sc N3 C4 '1,2,5 ' gua 1.3513 1.3512 -0.0001 G_riboseC3endo_O3H_O5P_anti_+sc C4 C5 '1,2,5 ' gua 1.3797 1.3792 -0.0005 G_riboseC3endo_O3H_O5P_anti_+sc C5 C6 '1,2,5 ' gua 1.4166 1.4166 0.0000 G_riboseC3endo_O3H_O5P_anti_+sc C6 N1 '1,2,5 ' gua 1.3914 1.3916 0.0002 G_riboseC3endo_O3H_O5P_anti_+sc C5 N7 '1,2,5 ' gua 1.3866 1.3867 0.0001 G_riboseC3endo_O3H_O5P_anti_+sc N7 C8 '1,2,5 ' gua 1.3058 1.3063 0.0005 G_riboseC3endo_O3H_O5P_anti_+sc C8 N9 '1,2,5 ' gua 1.3735 1.3736 0.0001 G_riboseC3endo_O3H_O5P_anti_+sc N9 C4 '1,2,5 ' gua 1.3753 1.3751 -0.0002 G_riboseC3endo_O3H_O5P_anti_+sc C2 N2 1 gua 1.3403 1.3403 0.0000 G_riboseC3endo_O3H_O5P_anti_+sc C6 O6 2 gua 1.2379 1.2379 0.0000 G_riboseC3endo_O3H_O5P_anti_+sc C8 H8 1 gua . . . G_riboseC3endo_O3H_O5P_anti_+sc N2 HA2 1 gua . . . G_riboseC3endo_O3H_O5P_anti_+sc N2 HB2 1 gua . . . G_riboseC3endo_O3H_O5P_anti_+sc C1* C2* 1 ribose 1.5300 1.5301 0.0001 G_riboseC3endo_O3H_O5P_anti_+sc C1* HA1* 1 ribose . . . G_riboseC3endo_O3H_O5P_anti_+sc C2* C3* 1 ribose 1.5270 1.5271 0.0001 G_riboseC3endo_O3H_O5P_anti_+sc C2* HA2* 1 ribose . . . G_riboseC3endo_O3H_O5P_anti_+sc C3* C4* 1 ribose 1.5195 1.5196 0.0001 G_riboseC3endo_O3H_O5P_anti_+sc C3* HA3* 1 ribose . . . G_riboseC3endo_O3H_O5P_anti_+sc C4* O4* 1 ribose 1.4489 1.4489 0.0000 G_riboseC3endo_O3H_O5P_anti_+sc C4* HA4* 1 ribose . . . G_riboseC3endo_O3H_O5P_anti_+sc O4* C1* 1 ribose 1.4076 1.4076 0.0000 G_riboseC3endo_O3H_O5P_anti_+sc C2* O2* 1 ribose 1.4201 1.4201 0.0000 G_riboseC3endo_O3H_O5P_anti_+sc C2* HAO2* 1 ribose . . . G_riboseC3endo_O3H_O5P_anti_+sc C3* O3* '1 A' ribose_C3endo_O3H 1.4132 1.4132 0.0000 G_riboseC3endo_O3H_O5P_anti_+sc C5* C4* 1 ribose 1.5064 1.5065 0.0001 G_riboseC3endo_O3H_O5P_anti_+sc C5* O5* '1 A' ribose_O5P 1.4440 1.4439 -0.0001 G_riboseC3endo_O3H_O5P_anti_+sc C5* HA5* 1 ribose . . . G_riboseC3endo_O3H_O5P_anti_+sc C5* HB5* 1 ribose . . . G_riboseC3endo_O3H_O5P_anti_+sc P O1P 1 PO4_1 1.4850 1.4850 0.0000 G_riboseC3endo_O3H_O5P_anti_+sc P O2P 1 PO4_1 1.4851 1.4850 -0.0001 G_riboseC3endo_O3H_O5P_anti_+sc P O 1 PO4_1 1.4848 1.4850 0.0002 # loop_ _ndb_chem_link_bond.link_id _ndb_chem_link_bond.dbsearch_id _ndb_chem_link_bond.atom_id_1 _ndb_chem_link_bond.atom_id_2 _ndb_chem_link_bond.atom_1_comp_id _ndb_chem_link_bond.atom_2_comp_id _ndb_chem_link_bond.value_dist_calc _ndb_chem_link_bond.value_dist _ndb_chem_link_bond.value_dist_delta ribose_purine C3endo_ribose_purine C1* N9 1 2 1.4719 1.4722 0.0003 ribose_O5_PO4 phosphate_O5_1 P O5* 2 1 1.5930 1.5930 0.0000 # loop_ _ndb_chem_comp_angle.comp_id _ndb_chem_comp_angle.atom_id_1 _ndb_chem_comp_angle.atom_id_2 _ndb_chem_comp_angle.atom_id_3 _ndb_chem_comp_angle.dbsearch_id _ndb_chem_comp_angle.value_angle_calc _ndb_chem_comp_angle.value_angle _ndb_chem_comp_angle.value_angle_delta G_riboseC3endo_O3H_O5P_anti_+sc C6 N1 C2 gua 125.13 125.09 -0.04 G_riboseC3endo_O3H_O5P_anti_+sc N1 C2 N3 gua 123.93 123.93 0.00 G_riboseC3endo_O3H_O5P_anti_+sc C2 N3 C4 gua 111.92 111.87 -0.05 G_riboseC3endo_O3H_O5P_anti_+sc N3 C4 C5 gua 128.60 128.61 0.01 G_riboseC3endo_O3H_O5P_anti_+sc C4 C5 C6 gua 118.76 118.80 0.04 G_riboseC3endo_O3H_O5P_anti_+sc C5 C6 N1 gua 111.65 111.60 -0.05 G_riboseC3endo_O3H_O5P_anti_+sc C4 C5 N7 gua 110.73 110.76 0.03 G_riboseC3endo_O3H_O5P_anti_+sc C5 N7 C8 gua 104.39 104.36 -0.03 G_riboseC3endo_O3H_O5P_anti_+sc N7 C8 N9 gua 113.16 113.12 -0.04 G_riboseC3endo_O3H_O5P_anti_+sc C8 N9 C4 gua 106.29 106.33 0.04 G_riboseC3endo_O3H_O5P_anti_+sc N9 C4 C5 gua 105.43 105.41 -0.02 G_riboseC3endo_O3H_O5P_anti_+sc N3 C4 N9 gua 125.71 125.96 0.25 G_riboseC3endo_O3H_O5P_anti_+sc C6 C5 N7 gua 130.23 130.42 0.19 G_riboseC3endo_O3H_O5P_anti_+sc N1 C2 N2 gua 116.05 116.07 0.02 G_riboseC3endo_O3H_O5P_anti_+sc C6 C2 N2 gua 143.71 143.71 0.00 G_riboseC3endo_O3H_O5P_anti_+sc N1 C6 O6 gua 120.00 120.01 0.01 G_riboseC3endo_O3H_O5P_anti_+sc C5 C6 O6 gua 128.36 128.36 0.00 G_riboseC3endo_O3H_O5P_anti_+sc C1* C2* C3* ribose 101.03 101.03 0.00 G_riboseC3endo_O3H_O5P_anti_+sc C2* C3* C4* ribose 102.25 102.21 -0.04 G_riboseC3endo_O3H_O5P_anti_+sc C3* C4* O4* ribose 104.17 104.10 -0.07 G_riboseC3endo_O3H_O5P_anti_+sc C4* O4* C1* ribose 110.03 109.97 -0.06 G_riboseC3endo_O3H_O5P_anti_+sc O4* C1* C2* ribose 107.66 107.59 -0.07 G_riboseC3endo_O3H_O5P_anti_+sc C1* C2* O2* ribose 108.23 108.24 0.01 G_riboseC3endo_O3H_O5P_anti_+sc C3* C2* O2* ribose 110.20 110.24 0.04 G_riboseC3endo_O3H_O5P_anti_+sc C2* C3* O3* ribose 113.63 113.59 -0.04 G_riboseC3endo_O3H_O5P_anti_+sc C4* C3* O3* ribose 112.59 112.68 0.09 G_riboseC3endo_O3H_O5P_anti_+sc C5* C4* C3* ribose 115.61 115.79 0.18 G_riboseC3endo_O3H_O5P_anti_+sc C5* C4* O4* ribose 109.78 109.78 0.00 G_riboseC3endo_O3H_O5P_anti_+sc O5* C5* C4* ribose 110.18 110.66 0.48 G_riboseC3endo_O3H_O5P_anti_+sc O1P P O2P PO4_1 119.14 119.60 0.46 G_riboseC3endo_O3H_O5P_anti_+sc O1P P O PO4_1 106.51 108.30 1.79 G_riboseC3endo_O3H_O5P_anti_+sc O2P P O PO4_1 105.52 107.30 1.78 # loop_ _ndb_chem_link_angle.link_id _ndb_chem_link_angle.dbsearch_id _ndb_chem_link_angle.atom_id_1 _ndb_chem_link_angle.atom_id_2 _ndb_chem_link_angle.atom_id_3 _ndb_chem_link_angle.atom_1_comp_id _ndb_chem_link_angle.atom_2_comp_id _ndb_chem_link_angle.atom_3_comp_id _ndb_chem_link_angle.value_angle_calc _ndb_chem_link_angle.value_angle _ndb_chem_link_angle.value_angle_delta ribose_purine C3endo_ribose_purine C4 N9 C1* 2 2 1 124.7937 125.5910 0.7973 ribose_purine C3endo_ribose_purine C8 N9 C1* 2 2 1 127.0412 127.9810 0.9398 ribose_purine C3endo_ribose_purine N9 C1* C2* 2 1 1 112.7124 112.5730 -0.1394 ribose_purine C3endo_ribose_purine N9 C1* O4* 2 1 1 108.0219 108.1200 0.0981 ribose_O5_PO4 phosphate_O5_1 P O5* C5* 1 1 2 121.0188 120.9000 -0.1188 ribose_O5_PO4 phosphate_O5_1 O5* P O1P 2 2 1 110.4153 110.7000 0.2847 ribose_O5_PO4 phosphate_O5_1 O5* P O2P 2 2 1 110.4147 110.7000 0.2853 ribose_O5_PO4 phosphate_O5_1 O P O5* 2 2 1 103.4573 104.0000 0.5427 # loop_ _ndb_chem_comp_tor.comp_id _ndb_chem_comp_tor.id _ndb_chem_comp_tor.dbsearch_id _ndb_chem_comp_tor.value_angle_calc _ndb_chem_comp_tor.value_angle _ndb_chem_comp_tor.value_angle_delta G_riboseC3endo_O3H_O5P_anti_+sc N1-C2-N3-C4 gua 0.65 0.69 0.04 G_riboseC3endo_O3H_O5P_anti_+sc C2-N3-C4-C5 gua 359.58 359.60 0.02 G_riboseC3endo_O3H_O5P_anti_+sc N3-C4-C5-C6 gua 359.88 359.84 -0.04 G_riboseC3endo_O3H_O5P_anti_+sc C4-C5-C6-N1 gua 0.41 0.43 0.02 G_riboseC3endo_O3H_O5P_anti_+sc C5-C6-N1-C2 gua 359.81 359.81 0.00 G_riboseC3endo_O3H_O5P_anti_+sc C6-N1-C2-N3 gua 359.62 359.56 -0.06 G_riboseC3endo_O3H_O5P_anti_+sc N9-C4-C5-N7 gua 359.76 359.75 -0.01 G_riboseC3endo_O3H_O5P_anti_+sc C4-C5-N7-C8 gua 0.07 0.08 0.01 G_riboseC3endo_O3H_O5P_anti_+sc C5-N7-C8-N9 gua 0.13 0.13 0.00 G_riboseC3endo_O3H_O5P_anti_+sc N7-C8-N9-C4 gua 359.72 359.71 -0.01 G_riboseC3endo_O3H_O5P_anti_+sc C8-N9-C4-C5 gua 0.30 0.31 0.01 G_riboseC3endo_O3H_O5P_anti_+sc C6-N1-C2-N2 gua 179.68 179.75 0.07 G_riboseC3endo_O3H_O5P_anti_+sc C2-N1-C6-O6 gua 180.00 179.98 -0.02 G_riboseC3endo_O3H_O5P_anti_+sc C4*-O4*-C1*-C2* ribose 3.84 3.53 -0.31 G_riboseC3endo_O3H_O5P_anti_+sc O4*-C1*-C2*-C3* ribose 334.13 334.37 0.24 G_riboseC3endo_O3H_O5P_anti_+sc C1*-C2*-C3*-C4* ribose 36.79 36.70 -0.09 G_riboseC3endo_O3H_O5P_anti_+sc C2*-C3*-C4*-O4* ribose 324.28 324.20 -0.08 G_riboseC3endo_O3H_O5P_anti_+sc C3*-C4*-O4*-C1* ribose 20.21 20.45 0.24 G_riboseC3endo_O3H_O5P_anti_+sc C2*-C3*-C4*-C5* ribose 203.75 203.61 -0.14 G_riboseC3endo_O3H_O5P_anti_+sc C3*-C4*-C5*-O5* all_ribose_gamma 51.11 52.19 1.08 G_riboseC3endo_O3H_O5P_anti_+sc O3*-C3*-C4*-C5* ribose 81.43 81.27 -0.16 G_riboseC3endo_O3H_O5P_anti_+sc O4*-C4*-C3*-O3* ribose 201.97 201.87 -0.10 G_riboseC3endo_O3H_O5P_anti_+sc O4*-C4*-C5*-O5* all_ribose_gamma 293.66 293.22 -0.44 G_riboseC3endo_O3H_O5P_anti_+sc C5*-C4*-O4*-C1* ribose 144.58 145.01 0.43 G_riboseC3endo_O3H_O5P_anti_+sc C1*-C2*-C3*-O3* ribose 158.40 158.39 -0.01 G_riboseC3endo_O3H_O5P_anti_+sc O3*-C3*-C2*-O2* ribose 44.11 44.06 -0.05 # _ndb_chem_link_tor.link_id ribose_purine _ndb_chem_link_tor.id chi_anti_C3endo_purine _ndb_chem_link_tor.dbsearch_id C3endo_purine_anti _ndb_chem_link_tor.value_angle_calc 193.17 _ndb_chem_link_tor.value_angle 193.30 _ndb_chem_link_tor.value_angle_delta 0.13 # loop_ _ndb_dbitem.id _ndb_dbitem.dbsearch_id _ndb_dbitem.molecule_id _ndb_dbitem.r_factor _ndb_dbitem.sigma _ndb_dbitem.compound _ndb_dbitem.citation budway10 gua 1 4.40 0.001-0.005A '9-(2-CARBOXYETHYL)-GUANINE 1-METHYLCYTOSINE' 'S.FUJITA,A.TAKENAKA,Y.SASADA 1984, BULL.CHEM.SOC.JPN., 57, 1707' cehtak10 gua 1 5.30 0.001-0.005A '9-((2-HYDROXYETHOXY)METHYL)GUANINE HYDRATE (ANTIHERPES AGENT) ACYCLOVIR HYDRATE' 'G.I.BIRNBAUM,M.CYGLER,D.SHUGAR 1984, CAN.J.CHEM., 62, 2646' cehtak10 gua 2 5.30 0.001-0.005A '9-((2-HYDROXYETHOXY)METHYL)GUANINE HYDRATE (ANTIHERPES AGENT) ACYCLOVIR HYDRATE' 'G.I.BIRNBAUM,M.CYGLER,D.SHUGAR 1984, CAN.J.CHEM., 62, 2646' cehtak10 gua 3 5.30 0.001-0.005A '9-((2-HYDROXYETHOXY)METHYL)GUANINE HYDRATE (ANTIHERPES AGENT) ACYCLOVIR HYDRATE' 'G.I.BIRNBAUM,M.CYGLER,D.SHUGAR 1984, CAN.J.CHEM., 62, 2646' dahmii gua 1 5.30 0.006-0.010A ;2',3',5'-TRI-O-ACETYLGUANOSINE (MONOCLINIC FORM) ; ;C.C.WILSON,J.N.LOW,P.TOLLIN 1985, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 41, 1123 ; defxuh gua 1 5.10 0.006-0.010A 9-(2-HYDROXYETHYL)-GUANINE ;M.SHIBATA,A.TAKENAKA,Y.SASADA 1985, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 41, 1501 ; defxuh gua 2 5.10 0.006-0.010A 9-(2-HYDROXYETHYL)-GUANINE ;M.SHIBATA,A.TAKENAKA,Y.SASADA 1985, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 41, 1501 ; dinyii10 gua 1 4.10 0.006-0.010A ;SODIUM BIS(DEOXYCYTIDYLYL-(3'-5')-DEOXYGUANOSINE) DINUCLEOTIDE HEPTAHYDRATE ; 'M.COLL,X.SOLANS,M.FONT-ALTABA,J.A.SUBIRANA 1987, J.BIOMOL.STRUCT.DYN., 4, 797' dinyii10 gua 2 4.10 0.006-0.010A ;SODIUM BIS(DEOXYCYTIDYLYL-(3'-5')-DEOXYGUANOSINE) DINUCLEOTIDE HEPTAHYDRATE ; 'M.COLL,X.SOLANS,M.FONT-ALTABA,J.A.SUBIRANA 1987, J.BIOMOL.STRUCT.DYN., 4, 797' eguanc gua 1 4.00 0.001-0.005A 'BIS(9-ETHYLGUANINE) HYDROCHLORIDE' 'G.S.MANDEL,R.E.MARSH 1975, ACTA CRYSTALLOGR.,SECT.B, 31, 2862' gebrio gua 1 5.38 0.001-0.005A ;2',3'-O-ISOPROPYLIDENEGUANOSINE DIMETHYLSULFOXIDE SOLVATE ; ;S.S.MANDE,T.P.SESHADRI,M.A.VISWAMITRA 1988, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 44, 912 ; gipbiq gua 1 5.50 0.001-0.005A ;9-(4-HYDROXYBUTYL)GUANINE MONOHYDRATE (HSV-1 AND HSV-2 THYMIDINE KINASE IN VITRO INHIBITORY ACTIVITY) ; 'G.I.BIRNBAUM,N.G.JOHANSSON,D.SHUGAR 1987, NUCLEOSIDES AND NUCLEOTIDES, 6, 775' guansh10 gua 1 3.60 0.001-0.005A 'GUANOSINE DIHYDRATE' 'U.THEWALT,C.E.BUGG,R.E.MARSH 1970, ACTA CRYSTALLOGR.,SECT.B, 26, 1089' guansh10 gua 2 3.60 0.001-0.005A 'GUANOSINE DIHYDRATE' 'U.THEWALT,C.E.BUGG,R.E.MARSH 1970, ACTA CRYSTALLOGR.,SECT.B, 26, 1089' guopna10 gua 1 5.60 0.006-0.010A ;DISODIUM GUANOSINE-5'-PHOSPHATE HEPTAHYDRATE ; 'C.L.BARNES,S.W.HAWKINSON 1982, ACTA CRYSTALLOGR.,SECT.B, 38, 812' guopna10 gua 2 5.60 0.006-0.010A ;DISODIUM GUANOSINE-5'-PHOSPHATE HEPTAHYDRATE ; 'C.L.BARNES,S.W.HAWKINSON 1982, ACTA CRYSTALLOGR.,SECT.B, 38, 812' guopna11 gua 1 5.70 0.006-0.010A ;DISODIUM GUANOSINE-5'-PHOSPHATE HEPTAHYDRATE ; 'S.K.KATTI,T.P.SESHADRI,M.A.VISWAMITRA 1981, ACTA CRYSTALLOGR.,SECT.B, 37, 1825' guopna11 gua 2 5.70 0.006-0.010A ;DISODIUM GUANOSINE-5'-PHOSPHATE HEPTAHYDRATE ; 'S.K.KATTI,T.P.SESHADRI,M.A.VISWAMITRA 1981, ACTA CRYSTALLOGR.,SECT.B, 37, 1825' jafhih gua 1 3.10 0.001-0.005A ;2'-DEOXY-3',5'-DI-O-ACETYL GUANOSINE ; 'L.H.KOOLE,H.M.BUCK,J.A.KANTERS,A.SCHOUTEN 1988, CAN.J.CHEM., 66, 2634' jafhih gua 2 3.10 0.001-0.005A ;2'-DEOXY-3',5'-DI-O-ACETYL GUANOSINE ; 'L.H.KOOLE,H.M.BUCK,J.A.KANTERS,A.SCHOUTEN 1988, CAN.J.CHEM., 66, 2634' scgmpt10 gua 1 3.40 0.001-0.005A ;SODIUM GUANOSINE-3',5'-CYCLIC MONOPHOSPHATE TETRAHYDRATE ; 'A.K.CHWANG,M.SUNDARALINGAM 1974, ACTA CRYSTALLOGR.,SECT.B, 30, 1233' tamxek gua 1 4.41 0.006-0.010A ;(1R,4S)-2-AMINO-1,9-DIHYDRO-9-(4-HYDROXYMETHYLCYCLOPENT-2-ENYL)PURIN-6-ONE (ANTIHIV DRUG) (-)-CARBOVIR ; ;A.M.EXALL,M.F.JONES,CHI-LEUNG MO,P.L.MYERS,I.L.PATERNOSTER,H.SINGH,R.STORER,G.G.WEINGARTEN,C.WILLIAMSON,A.C.BRODIE,J.COOK,D.E.LAKE,C.A.MEERHOLZ,P.J.TURNBULL,R.M.HIGHCOCK 1991, J.CHEM.SOC.,PERKIN TRANS.1,, 2467 ; tamxek gua 2 4.41 0.006-0.010A ;(1R,4S)-2-AMINO-1,9-DIHYDRO-9-(4-HYDROXYMETHYLCYCLOPENT-2-ENYL)PURIN-6-ONE (ANTIHIV DRUG) (-)-CARBOVIR ; ;A.M.EXALL,M.F.JONES,CHI-LEUNG MO,P.L.MYERS,I.L.PATERNOSTER,H.SINGH,R.STORER,G.G.WEINGARTEN,C.WILLIAMSON,A.C.BRODIE,J.COOK,D.E.LAKE,C.A.MEERHOLZ,P.J.TURNBULL,R.M.HIGHCOCK 1991, J.CHEM.SOC.,PERKIN TRANS.1,, 2467 ; vuwrek gua 1 3.10 0.006-0.010A ;2',3'-DIDEHYDRO-2',3'-DIDEOXYGUANOSINE PYRIDINE SOLVATE ; 'P.VAN ROEY,C.K.CHU 1992, NUCLEOSIDES AND NUCLEOTIDES, 11, 1229' vuwrek gua 2 3.10 0.006-0.010A ;2',3'-DIDEHYDRO-2',3'-DIDEOXYGUANOSINE PYRIDINE SOLVATE ; 'P.VAN ROEY,C.K.CHU 1992, NUCLEOSIDES AND NUCLEOTIDES, 11, 1229' yacgue gua 1 3.00 0.001-0.005A ;9-(4-HYDROXY-3-(HYDROXYMETHYL)BUTYL)GUANINE MONOHYDRATE (ANTIHERPES VIRUS ACTIVITY) BRL 39123,PENCICLOVIR MONOHYDRATE ; ;M.R.HARNDEN,R.L.JARVEST,A.M.Z.SLAWIN,D.J.WILLIAMS 1990, NUCLEOSIDES AND NUCLEOTIDES, 9, 499 ; zuzxat gua 1 3.59 0.001-0.005A 1,5-ANHYDRO-2,3-DIDEOXY-2-(GUANIN-9-YL)-D-ARABINO-HEXITOL ;R.DECLERCQ,P.HERDEWIJN,L.VAN MEERVELT 1996, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 52, 1213 ; adenos01 ribose 1 4.40 0.001-0.005A 'ADENOSINE (NEUTRON DIFFRACTION AT 123 DEG.K)' ;W.T.KLOOSTER,J.R.RUBLE,B.M.CRAVEN,R.K.MCMULLAN 1991, ACTA CRYSTALLOGR.,SECT.B (STR.SCI.), 47, 376 ; admpot10 ribose 1 2.90 0.001-0.005A ;ADENOSINE-5'-METHYLPHOSPHONATE HEMIHYDRATE ; 'C.L.BARNES,S.W.HAWKINSON 1979, ACTA CRYSTALLOGR.,SECT.B, 35, 1724' adposd ribose 1 4.30 0.006-0.010A ;ADENOSINE-3'-PHOSPHATE DIHYDRATE ; 'M.SUNDARALINGAM 1966, ACTA CRYSTALLOGR., 21, 495' adypur10 ribose 2 5.70 0.006-0.010A ;SODIUM ADENYLYL-(3'-5')-URIDINE DINUCLEOTIDE HEXAHYDRATE ; ;N.C.SEEMAN,J.M.ROSENBERG,F.L.SUDDATH,J.J.P.KIM,A.RICH 1976, J.MOL.BIOL., 104, 109 ; adypur10 ribose 3 5.70 0.006-0.010A ;SODIUM ADENYLYL-(3'-5')-URIDINE DINUCLEOTIDE HEXAHYDRATE ; ;N.C.SEEMAN,J.M.ROSENBERG,F.L.SUDDATH,J.J.P.KIM,A.RICH 1976, J.MOL.BIOL., 104, 109 ; adypur10 ribose 4 5.70 0.006-0.010A ;SODIUM ADENYLYL-(3'-5')-URIDINE DINUCLEOTIDE HEXAHYDRATE ; ;N.C.SEEMAN,J.M.ROSENBERG,F.L.SUDDATH,J.J.P.KIM,A.RICH 1976, J.MOL.BIOL., 104, 109 ; apapad10 ribose 1 6.80 0.001-0.005A ;ADENYLYL-(3',5')-ADENYLYL-(3',5')-ADENOSINE TRINUCLEOTIDE HEXAHYDRATE (FORM I) ; 'D.SUCK,P.C.MANOR,W.SAENGER 1976, ACTA CRYSTALLOGR.,SECT.B, 32, 1727' apapad10 ribose 2 6.80 0.001-0.005A ;ADENYLYL-(3',5')-ADENYLYL-(3',5')-ADENOSINE TRINUCLEOTIDE HEXAHYDRATE (FORM I) ; 'D.SUCK,P.C.MANOR,W.SAENGER 1976, ACTA CRYSTALLOGR.,SECT.B, 32, 1727' apapad10 ribose 3 6.80 0.001-0.005A ;ADENYLYL-(3',5')-ADENYLYL-(3',5')-ADENOSINE TRINUCLEOTIDE HEXAHYDRATE (FORM I) ; 'D.SUCK,P.C.MANOR,W.SAENGER 1976, ACTA CRYSTALLOGR.,SECT.B, 32, 1727' beurid10 ribose 1 3.30 0.001-0.005A URIDINE ;E.A.GREEN,R.D.ROSENSTEIN,R.SHIONO,D.J.ABRAHAM,B.L.TRUS,R.E.MARSH 1975, ACTA CRYSTALLOGR.,SECT.B, 31, 102 ; beurid10 ribose 2 3.30 0.001-0.005A URIDINE ;E.A.GREEN,R.D.ROSENSTEIN,R.SHIONO,D.J.ABRAHAM,B.L.TRUS,R.E.MARSH 1975, ACTA CRYSTALLOGR.,SECT.B, 31, 102 ; cupyuh ribose 1 3.40 0.001-0.005A 'CYTIDINE-5'-O-DIMETHYLPHOSPHATE' 'R.G.BRENNAN,N.S.KONDO,M.SUNDARALINGAM 1984, NUCLEIC ACIDS RES., 12, 6813' cytidi01 ribose 1 2.87 0.001-0.005A '4-AMINO-1-BETA-D-RIBOFURANOSYL-2(1H)-PYRIMIDINONE BETA-CYTIDINE' 'D.L.WARD 1993, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 49, 1789' cytidi02 ribose 1 5.40 0.001-0.005A 'BETA-CYTIDINE (AT 123 DEG.K, HIGH RESOLUTION REFINEMENT.)' 'LIRONG CHEN,B.M.CRAVEN 1995, ACTA CRYSTALLOGR.,SECT.B (STR.SCI.), 51, 1081' cytidn ribose 1 2.60 0.006-0.010A 'CYTIDINIUM NITRATE' ;J.J.GUY,L.R.NASSIMBENI,G.M.SHELDRICK,R.TAYLOR 1976, ACTA CRYSTALLOGR.,SECT.B, 32, 2909 ; gaknov ribose 1 4.20 0.001-0.005A '3-BETA-D-RIBOFURANOSYLADENINE 3-ISOADENOSINE' ;S.KUMAR,S.R.WILSON,N.J.LEONARD 1988, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 44, 508 ; guanph01 ribose 1 3.00 0.001-0.005A ;GUANOSINE-5'-MONOPHOSPHATE TRIHYDRATE (REDETERMINATION OF MURAYAMA ET AL,ACTA CRYST.,B25,2236,1969) ; 'J.EMERSON,M.SUNDARALINGAM 1980, ACTA CRYSTALLOGR.,SECT.B, 36, 1510' hifkem ribose 1 3.60 0.006-0.010A ;TETRASODIUM P,P''-BIS(5'-ADENOSYL)TETRAPHOSPHATE DODECAHYDRATE ; ;D.WATANABE,M.ISHIKAWA,M.YAMASAKI,M.OZAKI,T.KATAYAMA,H.NAKAJIMA 1996, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 52, 338 ; hifkem ribose 2 3.60 0.006-0.010A ;TETRASODIUM P,P''-BIS(5'-ADENOSYL)TETRAPHOSPHATE DODECAHYDRATE ; ;D.WATANABE,M.ISHIKAWA,M.YAMASAKI,M.OZAKI,T.KATAYAMA,H.NAKAJIMA 1996, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 52, 338 ; jucjas ribose 1 6.53 0.006-0.010A '5-CARBOXYMETHYLAMINOMETHYLURIDINE MONOHYDRATE' 'Z.GALDECKI,B.LUCIAK,A.MALKIEWICZ,B.NAWROT 1991, MONATSH.CHEM., 122, 487' meurid ribose 1 7.50 0.006-0.010A '5-METHYLURIDINE HEMIHYDRATE' 'D.J.HUNT,E.SUBRAMANIAN 1969, ACTA CRYSTALLOGR.,SECT.B, 25, 2144' mxurid01 ribose 1 3.10 0.001-0.005A 5-METHOXYURIDINE 'G.I.BIRNBAUM,W.J.P.BLONSKI,F.E.HRUSKA 1983, CAN.J.CHEM., 61, 2299' pucglr10 ribose 1 4.60 0.006-0.010A N-6--(N-GLYCYLCARBONYL)ADENOSINE 'R.PARTHASARATHY,J.M.OHRT,G.B.CHHEDA 1977, BIOCHEMISTRY, 16, 4999' taljar ribose 1 3.60 0.001-0.005A '4-AMINO-5-METHYL-1-BETA-D-RIBOFURANOSYL-2(1H)-PYRIMIDINONE 5-METHYLCYTIDINE' ;N.PADMAJA,S.RAMAKUMAR,M.A.VISWAMITRA 1991, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 47, 1445 ; taljar ribose 2 3.60 0.001-0.005A '4-AMINO-5-METHYL-1-BETA-D-RIBOFURANOSYL-2(1H)-PYRIMIDINONE 5-METHYLCYTIDINE' ;N.PADMAJA,S.RAMAKUMAR,M.A.VISWAMITRA 1991, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 47, 1445 ; uroame ribose 1 4.00 0.006-0.010A 'URIDINE-5-OXYACETIC ACID METHYL ESTER MONOHYDRATE' 'K.MORIKAWA,K.TORII,Y.IITAKA,M.TSUBOI 1975, ACTA CRYSTALLOGR.,SECT.B, 31, 1004' adenos01 ribose_C3endo_O3H 1 4.40 0.001-0.005A 'ADENOSINE (NEUTRON DIFFRACTION AT 123 DEG.K)' ;W.T.KLOOSTER,J.R.RUBLE,B.M.CRAVEN,R.K.MCMULLAN 1991, ACTA CRYSTALLOGR.,SECT.B (STR.SCI.), 47, 376 ; admpot10 ribose_C3endo_O3H 1 2.90 0.001-0.005A ;ADENOSINE-5'-METHYLPHOSPHONATE HEMIHYDRATE ; 'C.L.BARNES,S.W.HAWKINSON 1979, ACTA CRYSTALLOGR.,SECT.B, 35, 1724' admpot10 ribose_C3endo_O3H 2 2.90 0.001-0.005A ;ADENOSINE-5'-METHYLPHOSPHONATE HEMIHYDRATE ; 'C.L.BARNES,S.W.HAWKINSON 1979, ACTA CRYSTALLOGR.,SECT.B, 35, 1724' adypur10 ribose_C3endo_O3H 3 5.70 0.006-0.010A ;SODIUM ADENYLYL-(3'-5')-URIDINE DINUCLEOTIDE HEXAHYDRATE ; ;N.C.SEEMAN,J.M.ROSENBERG,F.L.SUDDATH,J.J.P.KIM,A.RICH 1976, J.MOL.BIOL., 104, 109 ; adypur10 ribose_C3endo_O3H 4 5.70 0.006-0.010A ;SODIUM ADENYLYL-(3'-5')-URIDINE DINUCLEOTIDE HEXAHYDRATE ; ;N.C.SEEMAN,J.M.ROSENBERG,F.L.SUDDATH,J.J.P.KIM,A.RICH 1976, J.MOL.BIOL., 104, 109 ; apapad10 ribose_C3endo_O3H 2 6.80 0.001-0.005A ;ADENYLYL-(3',5')-ADENYLYL-(3',5')-ADENOSINE TRINUCLEOTIDE HEXAHYDRATE (FORM I) ; 'D.SUCK,P.C.MANOR,W.SAENGER 1976, ACTA CRYSTALLOGR.,SECT.B, 32, 1727' beurid10 ribose_C3endo_O3H 1 3.30 0.001-0.005A URIDINE ;E.A.GREEN,R.D.ROSENSTEIN,R.SHIONO,D.J.ABRAHAM,B.L.TRUS,R.E.MARSH 1975, ACTA CRYSTALLOGR.,SECT.B, 31, 102 ; beurid10 ribose_C3endo_O3H 2 3.30 0.001-0.005A URIDINE ;E.A.GREEN,R.D.ROSENSTEIN,R.SHIONO,D.J.ABRAHAM,B.L.TRUS,R.E.MARSH 1975, ACTA CRYSTALLOGR.,SECT.B, 31, 102 ; cupyuh ribose_C3endo_O3H 1 3.40 0.001-0.005A 'CYTIDINE-5'-O-DIMETHYLPHOSPHATE' 'R.G.BRENNAN,N.S.KONDO,M.SUNDARALINGAM 1984, NUCLEIC ACIDS RES., 12, 6813' cytidi01 ribose_C3endo_O3H 1 2.87 0.001-0.005A '4-AMINO-1-BETA-D-RIBOFURANOSYL-2(1H)-PYRIMIDINONE BETA-CYTIDINE' 'D.L.WARD 1993, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 49, 1789' cytidi02 ribose_C3endo_O3H 1 5.40 0.001-0.005A 'BETA-CYTIDINE (AT 123 DEG.K, HIGH RESOLUTION REFINEMENT.)' 'LIRONG CHEN,B.M.CRAVEN 1995, ACTA CRYSTALLOGR.,SECT.B (STR.SCI.), 51, 1081' cytidn ribose_C3endo_O3H 1 2.60 0.006-0.010A 'CYTIDINIUM NITRATE' ;J.J.GUY,L.R.NASSIMBENI,G.M.SHELDRICK,R.TAYLOR 1976, ACTA CRYSTALLOGR.,SECT.B, 32, 2909 ; gaknov ribose_C3endo_O3H 1 4.20 0.001-0.005A '3-BETA-D-RIBOFURANOSYLADENINE 3-ISOADENOSINE' ;S.KUMAR,S.R.WILSON,N.J.LEONARD 1988, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 44, 508 ; guanph01 ribose_C3endo_O3H 1 3.00 0.001-0.005A ;GUANOSINE-5'-MONOPHOSPHATE TRIHYDRATE (REDETERMINATION OF MURAYAMA ET AL,ACTA CRYST.,B25,2236,1969) ; 'J.EMERSON,M.SUNDARALINGAM 1980, ACTA CRYSTALLOGR.,SECT.B, 36, 1510' hifkem ribose_C3endo_O3H 1 3.60 0.006-0.010A ;TETRASODIUM P,P''-BIS(5'-ADENOSYL)TETRAPHOSPHATE DODECAHYDRATE ; ;D.WATANABE,M.ISHIKAWA,M.YAMASAKI,M.OZAKI,T.KATAYAMA,H.NAKAJIMA 1996, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 52, 338 ; hifkem ribose_C3endo_O3H 2 3.60 0.006-0.010A ;TETRASODIUM P,P''-BIS(5'-ADENOSYL)TETRAPHOSPHATE DODECAHYDRATE ; ;D.WATANABE,M.ISHIKAWA,M.YAMASAKI,M.OZAKI,T.KATAYAMA,H.NAKAJIMA 1996, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 52, 338 ; jucjas ribose_C3endo_O3H 1 6.53 0.006-0.010A '5-CARBOXYMETHYLAMINOMETHYLURIDINE MONOHYDRATE' 'Z.GALDECKI,B.LUCIAK,A.MALKIEWICZ,B.NAWROT 1991, MONATSH.CHEM., 122, 487' meurid ribose_C3endo_O3H 1 7.50 0.006-0.010A '5-METHYLURIDINE HEMIHYDRATE' 'D.J.HUNT,E.SUBRAMANIAN 1969, ACTA CRYSTALLOGR.,SECT.B, 25, 2144' mxurid01 ribose_C3endo_O3H 1 3.10 0.001-0.005A 5-METHOXYURIDINE 'G.I.BIRNBAUM,W.J.P.BLONSKI,F.E.HRUSKA 1983, CAN.J.CHEM., 61, 2299' pucglr10 ribose_C3endo_O3H 1 4.60 0.006-0.010A N-6--(N-GLYCYLCARBONYL)ADENOSINE 'R.PARTHASARATHY,J.M.OHRT,G.B.CHHEDA 1977, BIOCHEMISTRY, 16, 4999' taljar ribose_C3endo_O3H 1 3.60 0.001-0.005A '4-AMINO-5-METHYL-1-BETA-D-RIBOFURANOSYL-2(1H)-PYRIMIDINONE 5-METHYLCYTIDINE' ;N.PADMAJA,S.RAMAKUMAR,M.A.VISWAMITRA 1991, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 47, 1445 ; taljar ribose_C3endo_O3H 2 3.60 0.001-0.005A '4-AMINO-5-METHYL-1-BETA-D-RIBOFURANOSYL-2(1H)-PYRIMIDINONE 5-METHYLCYTIDINE' ;N.PADMAJA,S.RAMAKUMAR,M.A.VISWAMITRA 1991, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 47, 1445 ; uroame ribose_C3endo_O3H 1 4.00 0.006-0.010A 'URIDINE-5-OXYACETIC ACID METHYL ESTER MONOHYDRATE' 'K.MORIKAWA,K.TORII,Y.IITAKA,M.TSUBOI 1975, ACTA CRYSTALLOGR.,SECT.B, 31, 1004' cekluz ribose_O5P 1 4.90 0.001-0.005A 'DISODIUM URIDINE DIPHOSPHOGLUCOSE DIHYDRATE' 'Y.SUGAWARA,H.IWASAKI 1984, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 40, 389' coczid ribose_O5P 1 3.90 0.001-0.005A 'ADENOSINE-5'-O-DIETHYL-PHOSPHATE' 'R.G.BRENNAN,N.S.KONDO,M.SUNDARALINGAM 1984, J.AM.CHEM.SOC., 106, 5671' daurid01 ribose_O5P 1 3.95 0.001-0.005A ;3',5'-DIACETYLURIDINE (AT -170DEG.C) ; ;R.A.G.DE GRAAFF,G.ADMIRAAL,E.H.KOEN,C.ROMERS 1977, ACTA CRYSTALLOGR.,SECT.B, 33, 2459 ; dotxuf10 ribose_O5P 1 5.70 0.001-0.005A ;TRYPTAMINIUM 7-METHYLGUANOSINE 5'-MONOPHOSPHATE TRIHYDRATE ; 'T.ISHIDA,M.DOI,H.UEDA,M.INOUE,G.M.SHELDRICK 1988, J.AM.CHEM.SOC., 110, 2286' guopna10 ribose_O5P 1 5.60 0.006-0.010A ;DISODIUM GUANOSINE-5'-PHOSPHATE HEPTAHYDRATE ; 'C.L.BARNES,S.W.HAWKINSON 1982, ACTA CRYSTALLOGR.,SECT.B, 38, 812' guopna10 ribose_O5P 2 5.60 0.006-0.010A ;DISODIUM GUANOSINE-5'-PHOSPHATE HEPTAHYDRATE ; 'C.L.BARNES,S.W.HAWKINSON 1982, ACTA CRYSTALLOGR.,SECT.B, 38, 812' guopna11 ribose_O5P 1 5.70 0.006-0.010A ;DISODIUM GUANOSINE-5'-PHOSPHATE HEPTAHYDRATE ; 'S.K.KATTI,T.P.SESHADRI,M.A.VISWAMITRA 1981, ACTA CRYSTALLOGR.,SECT.B, 37, 1825' guopna11 ribose_O5P 2 5.70 0.006-0.010A ;DISODIUM GUANOSINE-5'-PHOSPHATE HEPTAHYDRATE ; 'S.K.KATTI,T.P.SESHADRI,M.A.VISWAMITRA 1981, ACTA CRYSTALLOGR.,SECT.B, 37, 1825' suromm ribose_O5P 1 2.50 0.006-0.010A ;SODIUM URIDINE-5'-O-METHYLPHOSPHATE METHANOL SOLVATE ; 'J.D.HOOGENDORP,C.ROMERS 1978, ACTA CRYSTALLOGR.,SECT.B, 34, 2724' admpot10 ribose_O5P 1 2.90 0.001-0.005A ;ADENOSINE-5'-METHYLPHOSPHONATE HEMIHYDRATE ; 'C.L.BARNES,S.W.HAWKINSON 1979, ACTA CRYSTALLOGR.,SECT.B, 35, 1724' admpot10 ribose_O5P 2 2.90 0.001-0.005A ;ADENOSINE-5'-METHYLPHOSPHONATE HEMIHYDRATE ; 'C.L.BARNES,S.W.HAWKINSON 1979, ACTA CRYSTALLOGR.,SECT.B, 35, 1724' adypur10 ribose_O5P 3 5.70 0.006-0.010A ;SODIUM ADENYLYL-(3'-5')-URIDINE DINUCLEOTIDE HEXAHYDRATE ; ;N.C.SEEMAN,J.M.ROSENBERG,F.L.SUDDATH,J.J.P.KIM,A.RICH 1976, J.MOL.BIOL., 104, 109 ; adypur10 ribose_O5P 4 5.70 0.006-0.010A ;SODIUM ADENYLYL-(3'-5')-URIDINE DINUCLEOTIDE HEXAHYDRATE ; ;N.C.SEEMAN,J.M.ROSENBERG,F.L.SUDDATH,J.J.P.KIM,A.RICH 1976, J.MOL.BIOL., 104, 109 ; apapad10 ribose_O5P 1 6.80 0.001-0.005A ;ADENYLYL-(3',5')-ADENYLYL-(3',5')-ADENOSINE TRINUCLEOTIDE HEXAHYDRATE (FORM I) ; 'D.SUCK,P.C.MANOR,W.SAENGER 1976, ACTA CRYSTALLOGR.,SECT.B, 32, 1727' apapad10 ribose_O5P 2 6.80 0.001-0.005A ;ADENYLYL-(3',5')-ADENYLYL-(3',5')-ADENOSINE TRINUCLEOTIDE HEXAHYDRATE (FORM I) ; 'D.SUCK,P.C.MANOR,W.SAENGER 1976, ACTA CRYSTALLOGR.,SECT.B, 32, 1727' cupyuh ribose_O5P 1 3.40 0.001-0.005A 'CYTIDINE-5'-O-DIMETHYLPHOSPHATE' 'R.G.BRENNAN,N.S.KONDO,M.SUNDARALINGAM 1984, NUCLEIC ACIDS RES., 12, 6813' guanph01 ribose_O5P 1 3.00 0.001-0.005A ;GUANOSINE-5'-MONOPHOSPHATE TRIHYDRATE (REDETERMINATION OF MURAYAMA ET AL,ACTA CRYST.,B25,2236,1969) ; 'J.EMERSON,M.SUNDARALINGAM 1980, ACTA CRYSTALLOGR.,SECT.B, 36, 1510' hifkem ribose_O5P 1 3.60 0.006-0.010A ;TETRASODIUM P,P''-BIS(5'-ADENOSYL)TETRAPHOSPHATE DODECAHYDRATE ; ;D.WATANABE,M.ISHIKAWA,M.YAMASAKI,M.OZAKI,T.KATAYAMA,H.NAKAJIMA 1996, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 52, 338 ; hifkem ribose_O5P 2 3.60 0.006-0.010A ;TETRASODIUM P,P''-BIS(5'-ADENOSYL)TETRAPHOSPHATE DODECAHYDRATE ; ;D.WATANABE,M.ISHIKAWA,M.YAMASAKI,M.OZAKI,T.KATAYAMA,H.NAKAJIMA 1996, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 52, 338 ; dinyii10 all_ribose_gamma 1 4.10 0.006-0.010A ;SODIUM BIS(DEOXYCYTIDYLYL-(3'-5')-DEOXYGUANOSINE) DINUCLEOTIDE HEPTAHYDRATE ; 'M.COLL,X.SOLANS,M.FONT-ALTABA,J.A.SUBIRANA 1987, J.BIOMOL.STRUCT.DYN., 4, 797' dinyii10 all_ribose_gamma 2 4.10 0.006-0.010A ;SODIUM BIS(DEOXYCYTIDYLYL-(3'-5')-DEOXYGUANOSINE) DINUCLEOTIDE HEPTAHYDRATE ; 'M.COLL,X.SOLANS,M.FONT-ALTABA,J.A.SUBIRANA 1987, J.BIOMOL.STRUCT.DYN., 4, 797' dinyii10 all_ribose_gamma 3 4.10 0.006-0.010A ;SODIUM BIS(DEOXYCYTIDYLYL-(3'-5')-DEOXYGUANOSINE) DINUCLEOTIDE HEPTAHYDRATE ; 'M.COLL,X.SOLANS,M.FONT-ALTABA,J.A.SUBIRANA 1987, J.BIOMOL.STRUCT.DYN., 4, 797' dinyii10 all_ribose_gamma 4 4.10 0.006-0.010A ;SODIUM BIS(DEOXYCYTIDYLYL-(3'-5')-DEOXYGUANOSINE) DINUCLEOTIDE HEPTAHYDRATE ; 'M.COLL,X.SOLANS,M.FONT-ALTABA,J.A.SUBIRANA 1987, J.BIOMOL.STRUCT.DYN., 4, 797' duhhuj all_ribose_gamma 1 2.70 0.001-0.005A ;5-METHOXYMETHYL-2'-DEOXYURIDINE (ANTIVIRAL AGENT) ; ;O.A.L.EL-KABBANI,I.EKIEL,L.T.J.DELBAERE,G.TOURIGNY,A.L.STUART,S.V.GUPTA 1986, NUCLEOSIDES AND NUCLEOTIDES, 5, 95 ; dumtou all_ribose_gamma 1 4.20 0.001-0.005A (-)-CIS-(5S,6S)-5-HYDROXY-5-METHYL-6-ETHYLAMINO-5,6-DIHYDROTHYMIDINE ;T.HARAYAMA,R.YANADA,T.TAGA,K.MACHIDA,J.CADET,F.YONEDA 1986, J.CHEM.SOC.,CHEM.COMM.,, 1469 ; dumtou10 all_ribose_gamma 1 3.60 0.001-0.005A (5S,6S)-CIS-(+)-6-ETHYLAMINO-5-HYDROXY-5,6-DIHYDROTHYMIDINE ;T.HARAYAMA,R.YANADA,M.TANAKA,T.TAGA,K.MACHIDA,F.YONEDA,J.CADET 1988, J.CHEM.SOC.,PERKIN TRANS.1,, 2555 ; fmdurd02 all_ribose_gamma 1 3.30 0.006-0.010A '5-TRIFLUOROMETHYL-2'-DEOXYURIDINE' 'T.SATO 1989, ANAL.SCI., 5, 117' foylua all_ribose_gamma 1 4.40 0.001-0.005A '3'-O-ACETYL-2'-DEOXYADENOSINE' ;J.N.LOW,P.TOLLIN,R.A.HOWIE 1987, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 43, 2184 ; gexxiq all_ribose_gamma 1 4.90 0.001-0.005A ;3'-O-ACETYLTHYMIDINE (ORTHORHOMBIC FORM) ; ;R.S.ECCLESTON,C.C.WILSON,R.A.HOWIE 1988, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 44, 1424 ; gexxiq01 all_ribose_gamma 1 5.00 0.006-0.010A ;3'-O-ACETYLTHYMIDINE (HEXAGONAL FORM) ; 'A.SCHOUTEN,J.A.KANTERS 1991, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 47, 1320' ipdxur all_ribose_gamma 1 6.10 0.001-0.005A 'BETA-5-ISOPROPYL-2'-DEOXYURIDINE' ;M.CZUGLER,A.KALMAN,J.T.SAGI,A.SZABOLCS,L.OTVOS 1979, ACTA CRYSTALLOGR.,SECT.B, 35, 1626 ; ipdxur01 all_ribose_gamma 1 6.10 0.001-0.005A 'BETA-5-ISOPROPYL-2'-DEOXYURIDINE' 'C.MATYAS,K.ALAKOS 1993, ACTA PHARM.HUNG., 63, 193' jafhih all_ribose_gamma 2 3.10 0.001-0.005A ;2'-DEOXY-3',5'-DI-O-ACETYL GUANOSINE ; 'L.H.KOOLE,H.M.BUCK,J.A.KANTERS,A.SCHOUTEN 1988, CAN.J.CHEM., 66, 2634' jibdih all_ribose_gamma 1 3.00 0.001-0.005A ;2'-DEOXYCYTIDINIUM DIHYDROGENPHOSPHATE ; 'M.JASKOLSKI 1991, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 47, 153' jubvor all_ribose_gamma 1 4.37 0.001-0.005A ;1-(2'-DEOXY-BETA-D-RIBOFURANOSYL)-6,7-DIPHENYL-LUMAZINE (AT 183 DEG.K) ; ;XIAODONG CAO,W.PFLEIDERER,H.ROSEMEYER,F.SEELA,W.BANNWARTH,P.SCHONHOLZER 1992, HELV.CHIM.ACTA, 75, 1267 ; keclot all_ribose_gamma 1 4.30 0.006-0.010A ;8-AMINO-3,10-DIHYDRO-10-OXO-3-(BETA-D-2-DEOXYRIBOFURANOSYL)-3H-1,3,5-TRIAZINO(1,2-A)PURINE MONOHYDRATE DIDA'-METAMORPHOSINE MONOHYDRATE ; 'S.KUMAR,F.T.OAKES,S.R.WILSON,N.J.LEONARD 1988, HETEROCYCLES, 27, 2891' poggat all_ribose_gamma 1 4.20 0.006-0.010A ;BIS(2'-DEOXYCYTIDINE) DIHYDROGEN PHOSPHATE ; ;M.JASKOLSKI,M.GDANIEC,M.GILSKI,M.ALEJSKA,M.D.BRATEK-WIEWIOROWSKA 1994, J.BIOMOL.STRUCT.DYN., 11, 1287 ; poggat all_ribose_gamma 2 4.20 0.006-0.010A ;BIS(2'-DEOXYCYTIDINE) DIHYDROGEN PHOSPHATE ; ;M.JASKOLSKI,M.GDANIEC,M.GILSKI,M.ALEJSKA,M.D.BRATEK-WIEWIOROWSKA 1994, J.BIOMOL.STRUCT.DYN., 11, 1287 ; poggat all_ribose_gamma 3 4.20 0.006-0.010A ;BIS(2'-DEOXYCYTIDINE) DIHYDROGEN PHOSPHATE ; ;M.JASKOLSKI,M.GDANIEC,M.GILSKI,M.ALEJSKA,M.D.BRATEK-WIEWIOROWSKA 1994, J.BIOMOL.STRUCT.DYN., 11, 1287 ; poggat all_ribose_gamma 4 4.20 0.006-0.010A ;BIS(2'-DEOXYCYTIDINE) DIHYDROGEN PHOSPHATE ; ;M.JASKOLSKI,M.GDANIEC,M.GILSKI,M.ALEJSKA,M.D.BRATEK-WIEWIOROWSKA 1994, J.BIOMOL.STRUCT.DYN., 11, 1287 ; pryurd10 all_ribose_gamma 1 2.70 0.006-0.010A '5-(2-PROPYNYLOXY)-2'-DEOXYURIDINE' 'G.S.D.KING,L.SENGIER-ROBERTS 1982, J.CHEM.RES., 25, 722' sifkex all_ribose_gamma 1 2.80 0.001-0.005A ;5-((1S,2S)-2-CHLOROCYCLOPROPYL)-1-(2-DEOXY-BETA-D-RIBOFURANOSYL)URACIL (ABSOLUTE CONFIGURATION) ; ;S.C.MOSIMANN,B.D.SANTARSIERO,M.N.G.JAMES,M.TANDON,L.I.WIEBE,E.E.KNAUS 1990, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 46, 2115 ; vexdor all_ribose_gamma 1 4.40 0.001-0.005A ;5-METHOXYMETHYL-2'-DEOXYCYTIDINE (ANTIVIRAL AGENT) MMDCYD ; ;ZONGCHAO JIA,G.TOURIGNY,L.T.J.DELBAERE,A.L.STUART,S.V.GUPTA 1990, CAN.J.CHEM., 68, 836 ; vexdor all_ribose_gamma 2 4.40 0.001-0.005A ;5-METHOXYMETHYL-2'-DEOXYCYTIDINE (ANTIVIRAL AGENT) MMDCYD ; ;ZONGCHAO JIA,G.TOURIGNY,L.T.J.DELBAERE,A.L.STUART,S.V.GUPTA 1990, CAN.J.CHEM., 68, 836 ; zasquf all_ribose_gamma 1 3.80 0.001-0.005A ;3'-O-METHYLTHIOMETHYLTHYMIDINE MONOHYDRATE (POTENTIAL INHIBITORY ACTIVITY AGAINST HIV) ; ;V.A.BOCHKAREV,S.G.ZAVGORODNY,A.S.ZHDANOV,G.V.GURSKAYA 1995, BIOORG.KHIM., 21, 206 ; zasram all_ribose_gamma 1 2.80 0.001-0.005A ;3'-O-METHYLSULFINYLMETHYLTHYMIDINE (POTENTIAL INHIBITORY ACTIVITY AGAINST HIV) ; ;V.A.BOCHKAREV,S.G.ZAVGORODNY,A.S.ZHDANOV,G.V.GURSKAYA 1995, BIOORG.KHIM., 21, 206 ; zedhiz all_ribose_gamma 1 5.40 0.006-0.010A ;(1S,6S)-6,7,7,8,8-PENTAMETHYL-2-(BETA-D-2-DEOXYRIBOFURANOSYL)-CIS-2,4-DIAZABICYCLO(4.2.0)OCTANE-3,5-DIONE ; 'N.HAGA,I.ISHIKAWA,H.TAKAYANAGI,H.OGURA 1994, BULL.CHEM.SOC.JPN., 67, 728' docytc all_ribose_gamma 1 3.50 0.001-0.005A ;2'-DEOXYCYTIDINE HYDROCHLORIDE (ABSOLUTE CONFIGURATION) ; 'E.SUBRAMANIAN,D.J.HUNT 1970, ACTA CRYSTALLOGR.,SECT.B, 26, 303' gidtiw all_ribose_gamma 1 4.20 0.006-0.010A 'N-4--(UREIDOCARBONYL)-2'DEOXYCYTIDINE' 'S.KUMAR,N.J.LEONARD 1988, J.ORG.CHEM., 53, 3959' zozvuf all_ribose_gamma 1 4.56 0.001-0.005A ;(4-AMINO-1-(2-DEOXY-BETA-D-RIBOFURANOSYL)-2-OXO-1H-3-PYRIMIDINIO)(CYANO)BORATE MONOHYDRATE (IN VIVO ANTINEOPLASTIC ACTIVITY AGAINST VARIOUS TUMORS, WITH POTENTIAL USE IN BORON NEUTRON-CAPTURE THERAPY FOR BRAIN CANCER) 2'-DEOXYCYTIDINE-N(3)-CYANOBORANE MONOHYDRATE ; ;P.SINGH,M.ZOTTOLA,SAQING HUANG,B.R.SHAW,L.G.PEDERSEN 1996, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 52, 693 ; acados all_ribose_gamma 1 4.10 0.006-0.010A '3'-O-ACETYLADENOSINE' 'S.T.RAO,M.SUNDARALINGAM 1970, J.AM.CHEM.SOC., 92, 4963' adoshc all_ribose_gamma 1 3.70 0.001-0.005A 'ADENOSINE HYDROCHLORIDE' 'K.SHIKATA,T.UEKI,T.MITSUI 1973, ACTA CRYSTALLOGR.,SECT.B, 29, 31' amurid all_ribose_gamma 1 7.60 0.006-0.010A 5-AMINOURIDINE 'E.EGERT,H.J.LINDNER,W.HILLEN,H.G.GASSEN 1978, ACTA CRYSTALLOGR.,SECT.B, 34, 2204' bibxit all_ribose_gamma 1 5.10 0.006-0.010A '4-AMINO-1-BETA-D-RIBOFURANOSYL-PYRIMIDINE-2,6(1H,3H)-DIONE MONOHYDRATE' 'J.GORSKI,P.TOLLIN 1982, CRYST.STRUCT.COMMUN., 11, 543' bimfei10 all_ribose_gamma 1 3.70 0.001-0.005A 1,N-6--ETHENOADENOSINE 'M.JASKOLSKI 1982, ACTA CRYSTALLOGR.,SECT.B, 38, 3171' bimfim10 all_ribose_gamma 1 4.50 0.001-0.005A '1,N-6--ETHENOADENOSINE HYDROCHLORIDE' 'M.JASKOLSKI 1984, J.CRYSTALLOGR.SPECTROSC.RES., 14, 45' clurid10 all_ribose_gamma 1 3.15 0.001-0.005A 5-CHLOROURIDINE 'S.W.HAWKINSON,C.L.COULTER 1971, ACTA CRYSTALLOGR.,SECT.B, 27, 34' coczid all_ribose_gamma 1 3.90 0.001-0.005A 'ADENOSINE-5'-O-DIETHYL-PHOSPHATE' 'R.G.BRENNAN,N.S.KONDO,M.SUNDARALINGAM 1984, J.AM.CHEM.SOC., 106, 5671' coxnei all_ribose_gamma 1 3.10 0.001-0.005A '8-CHLORO-GUANOSINE DIHYDRATE' 'G.I.BIRNBAUM,P.LASSOTA,D.SHUGAR 1984, BIOCHEMISTRY, 23, 5048' cutvao all_ribose_gamma 1 3.90 0.001-0.005A XANTHOSINE 'B.LESYNG,C.MARCK,W.SAENGER 1984, Z.NATURFORSCH.,TEIL C, 39, 720' cytiac01 all_ribose_gamma 1 7.30 0.006-0.010A ;CYTIDINE-3'-PHOSPHATE (MONOCLINIC FORM) CYTIDYLIC ACID B ; 'C.E.BUGG,R.E.MARSH 1967, J.MOL.BIOL., 25, 67' cyticl all_ribose_gamma 1 2.80 0.001-0.005A 'CYTIDINIUM CHLORIDE' 'A.MOSSET,J.J.BONNET,J.GALY 1979, ACTA CRYSTALLOGR.,SECT.B, 35, 1908' demxey all_ribose_gamma 1 5.30 0.006-0.010A '8-METHYLGUANOSINE TRIHYDRATE' ;K.HAMADA,I.HONDA,S.FUJII,T.FUJIWARA,K.-I.TOMITA 1985, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 41, 1486 ; dotxuf10 all_ribose_gamma 1 5.70 0.001-0.005A ;TRYPTAMINIUM 7-METHYLGUANOSINE 5'-MONOPHOSPHATE TRIHYDRATE ; 'T.ISHIDA,M.DOI,H.UEDA,M.INOUE,G.M.SHELDRICK 1988, J.AM.CHEM.SOC., 110, 2286' fucwij all_ribose_gamma 1 4.90 0.001-0.005A 'N-6--DIDEHYDRO-1,6-DIHYDRO-1-METHYLADENOSINE TRIHYDRATE' 'Y.YAMAGATA,K.-I.TOMITA 1987, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 43, 2117' gicmou all_ribose_gamma 1 4.10 0.001-0.005A 'N-4--AMINOCYTIDINE HEMIHYDRATE (MUTAGENIC ACTIVITY)' ;S.KASHINO,K.NEGISHI,H.HAYATSU 1988, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 44, 1454 ; gicmou all_ribose_gamma 2 4.10 0.001-0.005A 'N-4--AMINOCYTIDINE HEMIHYDRATE (MUTAGENIC ACTIVITY)' ;S.KASHINO,K.NEGISHI,H.HAYATSU 1988, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 44, 1454 ; guansh10 all_ribose_gamma 1 3.60 0.001-0.005A 'GUANOSINE DIHYDRATE' 'U.THEWALT,C.E.BUGG,R.E.MARSH 1970, ACTA CRYSTALLOGR.,SECT.B, 26, 1089' guansh10 all_ribose_gamma 2 3.60 0.001-0.005A 'GUANOSINE DIHYDRATE' 'U.THEWALT,C.E.BUGG,R.E.MARSH 1970, ACTA CRYSTALLOGR.,SECT.B, 26, 1089' guopna10 all_ribose_gamma 1 5.60 0.006-0.010A ;DISODIUM GUANOSINE-5'-PHOSPHATE HEPTAHYDRATE ; 'C.L.BARNES,S.W.HAWKINSON 1982, ACTA CRYSTALLOGR.,SECT.B, 38, 812' guopna10 all_ribose_gamma 2 5.60 0.006-0.010A ;DISODIUM GUANOSINE-5'-PHOSPHATE HEPTAHYDRATE ; 'C.L.BARNES,S.W.HAWKINSON 1982, ACTA CRYSTALLOGR.,SECT.B, 38, 812' guopna11 all_ribose_gamma 1 5.70 0.006-0.010A ;DISODIUM GUANOSINE-5'-PHOSPHATE HEPTAHYDRATE ; 'S.K.KATTI,T.P.SESHADRI,M.A.VISWAMITRA 1981, ACTA CRYSTALLOGR.,SECT.B, 37, 1825' guopna11 all_ribose_gamma 2 5.70 0.006-0.010A ;DISODIUM GUANOSINE-5'-PHOSPHATE HEPTAHYDRATE ; 'S.K.KATTI,T.P.SESHADRI,M.A.VISWAMITRA 1981, ACTA CRYSTALLOGR.,SECT.B, 37, 1825' hipads all_ribose_gamma 1 3.10 0.001-0.005A '8-(ALPHA-HYDROXYISOPROPYL)-ADENOSINE DIHYDRATE' 'G.I.BIRNBAUM,D.SHUGAR 1978, BIOCHIM.BIOPHYS.ACTA, 517, 500' hxurid all_ribose_gamma 1 2.60 0.001-0.005A 5-HYDROXYURIDINE 'U.THEWALT,C.E.BUGG 1973, ACTA CRYSTALLOGR.,SECT.B, 29, 1393' jawjia all_ribose_gamma 1 2.96 0.001-0.005A '7-METHYL-8-OXO-7,8-DIHYDROGUANOSINE MONOHYDRATE' ;S.B.LARSON,H.B.COTTAM,R.K.ROBINS 1989, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 45, 1979 ; kehzay all_ribose_gamma 1 2.86 0.001-0.005A ;2-AMINO-7-METHYL-9-(BETA-D-RIBOFURANOSYL)-8(9H)-THIOXOPURIN-6(1H)-ONE MONOHYDRATE (IMMUNE SYSTEM STIMULATORY ACTION) ; ;S.B.LARSON,E.M.HENRY,G.D.KINI,R.K.ROBINS 1990, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 46, 506 ; kurdmp all_ribose_gamma 1 3.50 0.001-0.005A ;POTASSIUM DIHYDROURIDINE-3'-MONOPHOSPHATE HEMIHYDRATE ; 'J.EMERSON,M.SUNDARALINGAM 1980, ACTA CRYSTALLOGR.,SECT.B, 36, 537' lumzrf01 all_ribose_gamma 1 5.90 0.001-0.005A 6,7-DIMETHYL-N-1-BETA-D-RIBOFURANOSYL-LUMAZINE 'W.SAENGER,G.RITZMANN,W.PFLEIDERER 1977, ACTA CRYSTALLOGR.,SECT.B, 33, 2989' lumzrf01 all_ribose_gamma 2 5.90 0.001-0.005A 6,7-DIMETHYL-N-1-BETA-D-RIBOFURANOSYL-LUMAZINE 'W.SAENGER,G.RITZMANN,W.PFLEIDERER 1977, ACTA CRYSTALLOGR.,SECT.B, 33, 2989' pctrib10 all_ribose_gamma 1 4.10 0.001-0.005A N-6--(N-THREONYLCARBONYL)ADENOSINE 'R.PARTHASARATHY,J.M.OHRT,G.B.CHHEDA 1977, BIOCHEMISTRY, 16, 4999' selzis all_ribose_gamma 1 4.10 0.001-0.005A 3-(8-XANTHOSYL)XANTHINE 'XINHUA JI,P.SUBRAMANIAN,D.VAN DER HELM,G.DRYHURST 1990, J.ORG.CHEM., 55, 1291' selzis all_ribose_gamma 2 4.10 0.001-0.005A 3-(8-XANTHOSYL)XANTHINE 'XINHUA JI,P.SUBRAMANIAN,D.VAN DER HELM,G.DRYHURST 1990, J.ORG.CHEM., 55, 1291' uridmp10 all_ribose_gamma 1 5.10 0.006-0.010A ;URIDINE-3'-MONOPHOSPHATE MONOHYDRATE ; 'T.SRIKRISHNAN,S.M.FRIDEY,R.PARTHASARATHY 1979, J.AM.CHEM.SOC., 101, 3739' vuymad all_ribose_gamma 1 2.90 0.001-0.005A 'CYTIDINIUM DIHYDROGENPHOSPHATE' 'M.JASKOLSKI 1989, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 45, 85' yidkif all_ribose_gamma 1 2.97 0.001-0.005A 'BIS(CYTIDINIUM) SULFATE' 'M.GILSKI,M.JASKOLSKI 1993, POL.J.CHEM., 67, 1841' yidkif all_ribose_gamma 2 2.97 0.001-0.005A 'BIS(CYTIDINIUM) SULFATE' 'M.GILSKI,M.JASKOLSKI 1993, POL.J.CHEM., 67, 1841' zaytic all_ribose_gamma 1 3.45 0.001-0.005A '3-METHYLURIDINE (ABSOLUTE CONFIGURATION BY REFINEMENT OF THE FLACK PARAMETER)' ;B.L.PARTRIDGE,C.E.PRITCHARD 1995, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 51, 1929 ; zexwee all_ribose_gamma 1 3.66 0.006-0.010A ;2-CHLORO-N-(1-PHENYL-2(R)-PROPYL)-9-BETA-D-RIBOFURANOSYL-9H-PURIN-6-AMINE (ACTIVATING AGENT OF ADENOSINE A2 RECEPTOR) N-(1-PHENYL-2(R)-PROPYL)-2-CHLORO-ADENOSINE ; 'A.K.DAS,V.BERTOLASI 1995, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 51, 2408' admpot10 all_ribose_gamma 1 2.90 0.001-0.005A ;ADENOSINE-5'-METHYLPHOSPHONATE HEMIHYDRATE ; 'C.L.BARNES,S.W.HAWKINSON 1979, ACTA CRYSTALLOGR.,SECT.B, 35, 1724' admpot10 all_ribose_gamma 2 2.90 0.001-0.005A ;ADENOSINE-5'-METHYLPHOSPHONATE HEMIHYDRATE ; 'C.L.BARNES,S.W.HAWKINSON 1979, ACTA CRYSTALLOGR.,SECT.B, 35, 1724' adypur10 all_ribose_gamma 1 5.70 0.006-0.010A ;SODIUM ADENYLYL-(3'-5')-URIDINE DINUCLEOTIDE HEXAHYDRATE ; ;N.C.SEEMAN,J.M.ROSENBERG,F.L.SUDDATH,J.J.P.KIM,A.RICH 1976, J.MOL.BIOL., 104, 109 ; adypur10 all_ribose_gamma 2 5.70 0.006-0.010A ;SODIUM ADENYLYL-(3'-5')-URIDINE DINUCLEOTIDE HEXAHYDRATE ; ;N.C.SEEMAN,J.M.ROSENBERG,F.L.SUDDATH,J.J.P.KIM,A.RICH 1976, J.MOL.BIOL., 104, 109 ; adypur10 all_ribose_gamma 3 5.70 0.006-0.010A ;SODIUM ADENYLYL-(3'-5')-URIDINE DINUCLEOTIDE HEXAHYDRATE ; ;N.C.SEEMAN,J.M.ROSENBERG,F.L.SUDDATH,J.J.P.KIM,A.RICH 1976, J.MOL.BIOL., 104, 109 ; adypur10 all_ribose_gamma 4 5.70 0.006-0.010A ;SODIUM ADENYLYL-(3'-5')-URIDINE DINUCLEOTIDE HEXAHYDRATE ; ;N.C.SEEMAN,J.M.ROSENBERG,F.L.SUDDATH,J.J.P.KIM,A.RICH 1976, J.MOL.BIOL., 104, 109 ; apapad10 all_ribose_gamma 1 6.80 0.001-0.005A ;ADENYLYL-(3',5')-ADENYLYL-(3',5')-ADENOSINE TRINUCLEOTIDE HEXAHYDRATE (FORM I) ; 'D.SUCK,P.C.MANOR,W.SAENGER 1976, ACTA CRYSTALLOGR.,SECT.B, 32, 1727' apapad10 all_ribose_gamma 2 6.80 0.001-0.005A ;ADENYLYL-(3',5')-ADENYLYL-(3',5')-ADENOSINE TRINUCLEOTIDE HEXAHYDRATE (FORM I) ; 'D.SUCK,P.C.MANOR,W.SAENGER 1976, ACTA CRYSTALLOGR.,SECT.B, 32, 1727' apapad10 all_ribose_gamma 3 6.80 0.001-0.005A ;ADENYLYL-(3',5')-ADENYLYL-(3',5')-ADENOSINE TRINUCLEOTIDE HEXAHYDRATE (FORM I) ; 'D.SUCK,P.C.MANOR,W.SAENGER 1976, ACTA CRYSTALLOGR.,SECT.B, 32, 1727' beurid10 all_ribose_gamma 1 3.30 0.001-0.005A URIDINE ;E.A.GREEN,R.D.ROSENSTEIN,R.SHIONO,D.J.ABRAHAM,B.L.TRUS,R.E.MARSH 1975, ACTA CRYSTALLOGR.,SECT.B, 31, 102 ; beurid10 all_ribose_gamma 2 3.30 0.001-0.005A URIDINE ;E.A.GREEN,R.D.ROSENSTEIN,R.SHIONO,D.J.ABRAHAM,B.L.TRUS,R.E.MARSH 1975, ACTA CRYSTALLOGR.,SECT.B, 31, 102 ; cytidi01 all_ribose_gamma 1 2.87 0.001-0.005A '4-AMINO-1-BETA-D-RIBOFURANOSYL-2(1H)-PYRIMIDINONE BETA-CYTIDINE' 'D.L.WARD 1993, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 49, 1789' cytidi02 all_ribose_gamma 1 5.40 0.001-0.005A 'BETA-CYTIDINE (AT 123 DEG.K, HIGH RESOLUTION REFINEMENT.)' 'LIRONG CHEN,B.M.CRAVEN 1995, ACTA CRYSTALLOGR.,SECT.B (STR.SCI.), 51, 1081' cytidn all_ribose_gamma 1 2.60 0.006-0.010A 'CYTIDINIUM NITRATE' ;J.J.GUY,L.R.NASSIMBENI,G.M.SHELDRICK,R.TAYLOR 1976, ACTA CRYSTALLOGR.,SECT.B, 32, 2909 ; guanph01 all_ribose_gamma 1 3.00 0.001-0.005A ;GUANOSINE-5'-MONOPHOSPHATE TRIHYDRATE (REDETERMINATION OF MURAYAMA ET AL,ACTA CRYST.,B25,2236,1969) ; 'J.EMERSON,M.SUNDARALINGAM 1980, ACTA CRYSTALLOGR.,SECT.B, 36, 1510' hifkem all_ribose_gamma 1 3.60 0.006-0.010A ;TETRASODIUM P,P''-BIS(5'-ADENOSYL)TETRAPHOSPHATE DODECAHYDRATE ; ;D.WATANABE,M.ISHIKAWA,M.YAMASAKI,M.OZAKI,T.KATAYAMA,H.NAKAJIMA 1996, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 52, 338 ; hifkem all_ribose_gamma 2 3.60 0.006-0.010A ;TETRASODIUM P,P''-BIS(5'-ADENOSYL)TETRAPHOSPHATE DODECAHYDRATE ; ;D.WATANABE,M.ISHIKAWA,M.YAMASAKI,M.OZAKI,T.KATAYAMA,H.NAKAJIMA 1996, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 52, 338 ; jucjas all_ribose_gamma 1 6.53 0.006-0.010A '5-CARBOXYMETHYLAMINOMETHYLURIDINE MONOHYDRATE' 'Z.GALDECKI,B.LUCIAK,A.MALKIEWICZ,B.NAWROT 1991, MONATSH.CHEM., 122, 487' meurid all_ribose_gamma 1 7.50 0.006-0.010A '5-METHYLURIDINE HEMIHYDRATE' 'D.J.HUNT,E.SUBRAMANIAN 1969, ACTA CRYSTALLOGR.,SECT.B, 25, 2144' mxurid01 all_ribose_gamma 1 3.10 0.001-0.005A 5-METHOXYURIDINE 'G.I.BIRNBAUM,W.J.P.BLONSKI,F.E.HRUSKA 1983, CAN.J.CHEM., 61, 2299' pucglr10 all_ribose_gamma 1 4.60 0.006-0.010A N-6--(N-GLYCYLCARBONYL)ADENOSINE 'R.PARTHASARATHY,J.M.OHRT,G.B.CHHEDA 1977, BIOCHEMISTRY, 16, 4999' taljar all_ribose_gamma 1 3.60 0.001-0.005A '4-AMINO-5-METHYL-1-BETA-D-RIBOFURANOSYL-2(1H)-PYRIMIDINONE 5-METHYLCYTIDINE' ;N.PADMAJA,S.RAMAKUMAR,M.A.VISWAMITRA 1991, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 47, 1445 ; taljar all_ribose_gamma 2 3.60 0.001-0.005A '4-AMINO-5-METHYL-1-BETA-D-RIBOFURANOSYL-2(1H)-PYRIMIDINONE 5-METHYLCYTIDINE' ;N.PADMAJA,S.RAMAKUMAR,M.A.VISWAMITRA 1991, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 47, 1445 ; uroame all_ribose_gamma 1 4.00 0.006-0.010A 'URIDINE-5-OXYACETIC ACID METHYL ESTER MONOHYDRATE' 'K.MORIKAWA,K.TORII,Y.IITAKA,M.TSUBOI 1975, ACTA CRYSTALLOGR.,SECT.B, 31, 1004' . PO4_1 . . . . . . PO4_1 . . . . . . PO4_1 . . . . . . PO4_1 . . . . . . PO4_1 . . . . . . PO4_1 . . . . . . PO4_1 . . . . . . PO4_1 . . . . . . PO4_1 . . . . . . PO4_1 . . . . . . PO4_1 . . . . . . PO4_1 . . . . . . PO4_1 . . . . . . PO4_1 . . . . . . PO4_1 . . . . . . C3endo_purine_anti . . . . . . C3endo_purine_anti . . . . . . C3endo_purine_anti . . . . . . C3endo_purine_anti . . . . . . C3endo_purine_anti . . . . . . C3endo_purine_anti . . . . . . C3endo_purine_anti . . . . . . C3endo_purine_anti . . . . . . C3endo_purine_anti . . . . . . C3endo_purine_anti . . . . . . C3endo_purine_anti . . . . . . C3endo_purine_anti . . . . . . all_ribose_purine . . . . . . all_ribose_purine . . . . . . phosphate_O5_1 . . . . . . phosphate_O5_1 . . . . . . phosphate_O5_1 . . . . . . phosphate_O5_1 . . . . . . phosphate_O5_1 . . . . . . phosphate_O5_1 . . . . . . phosphate_O5_1 . . . . . . phosphate_O5_1 . . . . . . phosphate_O5_1 . . . . . . phosphate_O5_1 . . . . . . phosphate_O5_1 . . . . . . phosphate_O5_1 . . . . . . phosphate_O5_1 . . . . . . phosphate_O5_1 . . . . . . phosphate_O5_1 . . . . . . phosphate_O5_4 . . . . . #