# Minimized with a chisquare of 0.090231. ################################################################################ # # File: G_deoxyriboseC3endo_O3H_O5P_anti_+sc # Date: 08-Dec-97 19:02:46 # # 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_deoxyriboseC3endo_O3H_O5P_anti_+sc # _chem_comp.id G_deoxyriboseC3endo_O3H_O5P_anti_+sc _chem_comp.name '2'-deoxyguanosine-5'-phosphate' _chem_comp.type 'DNA linking' _chem_comp.model_details ;Model constructed for 2'-deoxyguanosine-5'-phosphate from subcomponents for base, sugar and phosphate. The sugar is deoxyribose 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 O7 P1 ' _chem_comp.formula_weight 343.22 _chem_comp.number_atoms_all 33 _chem_comp.number_atoms_nh 23 _chem_comp.ndb_formal_charge -2 # loop_ _ndb_composite.comp_id _ndb_composite.sub_comp_id _ndb_composite.sub_type _ndb_composite.details G_deoxyriboseC3endo_O3H_O5P_anti_+sc gua base 'Model constructed for guanine with an N9-glycosidic linkage.' G_deoxyriboseC3endo_O3H_O5P_anti_+sc deoxyribose_C3endo_O3H_O5P_+sc sugar ;Model constructed for 1'-amino-2'-deoxyribose 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_deoxyriboseC3endo_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 deoxyribose_C3endo_O3H_O5P_+sc gua ribose_O5_PO4 sugar phosphate deoxyribose_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_deoxyriboseC3endo_O3H_O5P_anti_+sc csd 6 deoxyribose 512 ;Mon Dec 8 13:29:26 1997 ; 'Sep 15 19:34:11 BST 1996' G_deoxyriboseC3endo_O3H_O5P_anti_+sc csd 6 deoxyribose_C3endo_O3H 512 ;Mon Dec 8 13:42:52 1997 ; 'Sep 15 19:34:11 BST 1996' G_deoxyriboseC3endo_O3H_O5P_anti_+sc csd 11 deoxyribose_O5P 512 ;Mon Dec 8 13:52:27 1997 ; 'Sep 15 19:34:11 BST 1996' G_deoxyriboseC3endo_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_deoxyriboseC3endo_O3H_O5P_anti_+sc ndb 15 PO4_1 . . . G_deoxyriboseC3endo_O3H_O5P_anti_+sc csd 1 C3endo_deoxyribose_purine 512 'Tue Jul 1 23:00:06 1997' 'Sep 15 19:34:11 BST 1996' G_deoxyriboseC3endo_O3H_O5P_anti_+sc csd 12 C3endo_purine_anti . . . G_deoxyriboseC3endo_O3H_O5P_anti_+sc ndb 15 phosphate_O5_1 . . . G_deoxyriboseC3endo_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_deoxyriboseC3endo_O3H_O5P_anti_+sc N1 N base 0 6.3172 6.5940 2.8379 G_deoxyriboseC3endo_O3H_O5P_anti_+sc C2 C base 0 6.2836 5.9376 1.6346 G_deoxyriboseC3endo_O3H_O5P_anti_+sc N3 N base 0 5.8290 4.7053 1.4782 G_deoxyriboseC3endo_O3H_O5P_anti_+sc C4 C base 0 5.3880 4.1777 2.6418 G_deoxyriboseC3endo_O3H_O5P_anti_+sc C5 C base 0 5.3733 4.7527 3.8964 G_deoxyriboseC3endo_O3H_O5P_anti_+sc C6 C base 0 5.8777 6.0682 4.0486 G_deoxyriboseC3endo_O3H_O5P_anti_+sc N7 N base 0 4.6843 3.9519 4.7945 G_deoxyriboseC3endo_O3H_O5P_anti_+sc C8 C base 0 4.3009 2.9246 4.0860 G_deoxyriboseC3endo_O3H_O5P_anti_+sc N9 N base 0 4.6974 2.9951 2.7732 G_deoxyriboseC3endo_O3H_O5P_anti_+sc N2 N base 0 6.7496 6.6194 0.5789 G_deoxyriboseC3endo_O3H_O5P_anti_+sc O6 O base 0 5.9524 6.7470 5.0810 G_deoxyriboseC3endo_O3H_O5P_anti_+sc H8 H base 0 . . . G_deoxyriboseC3endo_O3H_O5P_anti_+sc HA2 H base 0 . . . G_deoxyriboseC3endo_O3H_O5P_anti_+sc HB2 H base 0 . . . G_deoxyriboseC3endo_O3H_O5P_anti_+sc C1* C sugar 0 4.7289 1.8925 1.7985 G_deoxyriboseC3endo_O3H_O5P_anti_+sc C2* C sugar 0 6.0208 1.0965 1.8722 G_deoxyriboseC3endo_O3H_O5P_anti_+sc C3* C sugar 0 5.6670 -0.0316 2.8251 G_deoxyriboseC3endo_O3H_O5P_anti_+sc C4* C sugar 0 4.2063 -0.2909 2.4899 G_deoxyriboseC3endo_O3H_O5P_anti_+sc C5* C sugar 0 3.3672 -0.8679 3.6078 G_deoxyriboseC3endo_O3H_O5P_anti_+sc O3* O sugar 0 6.4850 -1.1757 2.6463 G_deoxyriboseC3endo_O3H_O5P_anti_+sc O4* O sugar 0 3.6765 1.0036 2.1108 G_deoxyriboseC3endo_O3H_O5P_anti_+sc O5* O sugar 0 3.4786 -0.0816 4.8065 G_deoxyriboseC3endo_O3H_O5P_anti_+sc HA1* H sugar 0 . . . G_deoxyriboseC3endo_O3H_O5P_anti_+sc HA2* H sugar 0 . . . G_deoxyriboseC3endo_O3H_O5P_anti_+sc HB2* H sugar 0 . . . G_deoxyriboseC3endo_O3H_O5P_anti_+sc HA3* H sugar 0 . . . G_deoxyriboseC3endo_O3H_O5P_anti_+sc HA4* H sugar 0 . . . G_deoxyriboseC3endo_O3H_O5P_anti_+sc HA5* H sugar 0 . . . G_deoxyriboseC3endo_O3H_O5P_anti_+sc HB5* H sugar 0 . . . G_deoxyriboseC3endo_O3H_O5P_anti_+sc P P phosphate 0 2.2639 0.8206 5.3051 G_deoxyriboseC3endo_O3H_O5P_anti_+sc O1P O phosphate 0 1.2308 -0.0191 5.9630 G_deoxyriboseC3endo_O3H_O5P_anti_+sc O2P O phosphate -1 2.7691 2.0276 6.0072 G_deoxyriboseC3endo_O3H_O5P_anti_+sc O O phosphate -1 1.6622 1.3183 4.0419 # 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_deoxyriboseC3endo_O3H_O5P_anti_+sc 1 C1* 4 3 sign 2.49 0.03 sign 54.18 0.78 G_deoxyriboseC3endo_O3H_O5P_anti_+sc 2 C3* 4 3 sign -2.51 0.10 sign -51.72 2.87 G_deoxyriboseC3endo_O3H_O5P_anti_+sc 3 C4* 4 3 sign 2.50 0.04 sign 50.99 1.10 # 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_deoxyriboseC3endo_O3H_O5P_anti_+sc O4* 1 2 G_deoxyriboseC3endo_O3H_O5P_anti_+sc C2* 1 3 G_deoxyriboseC3endo_O3H_O5P_anti_+sc N 2 1 G_deoxyriboseC3endo_O3H_O5P_anti_+sc C2* 2 2 G_deoxyriboseC3endo_O3H_O5P_anti_+sc C4* 2 3 G_deoxyriboseC3endo_O3H_O5P_anti_+sc O3* 3 1 G_deoxyriboseC3endo_O3H_O5P_anti_+sc C3* 3 2 G_deoxyriboseC3endo_O3H_O5P_anti_+sc O4* 3 3 G_deoxyriboseC3endo_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_deoxyriboseC3endo_O3H_O5P_anti_+sc N1 C2 sing 1.3717 0.0089 G_deoxyriboseC3endo_O3H_O5P_anti_+sc C2 N3 doub 1.3232 0.0096 G_deoxyriboseC3endo_O3H_O5P_anti_+sc N3 C4 sing 1.3512 0.0084 G_deoxyriboseC3endo_O3H_O5P_anti_+sc C4 C5 doub 1.3792 0.0073 G_deoxyriboseC3endo_O3H_O5P_anti_+sc C5 C6 sing 1.4166 0.0092 G_deoxyriboseC3endo_O3H_O5P_anti_+sc C6 N1 sing 1.3916 0.0081 G_deoxyriboseC3endo_O3H_O5P_anti_+sc C5 N7 sing 1.3867 0.0067 G_deoxyriboseC3endo_O3H_O5P_anti_+sc N7 C8 doub 1.3063 0.0077 G_deoxyriboseC3endo_O3H_O5P_anti_+sc C8 N9 sing 1.3736 0.0082 G_deoxyriboseC3endo_O3H_O5P_anti_+sc N9 C4 sing 1.3751 0.0083 G_deoxyriboseC3endo_O3H_O5P_anti_+sc C2 N2 sing 1.3403 0.0096 G_deoxyriboseC3endo_O3H_O5P_anti_+sc C6 O6 doub 1.2379 0.0090 G_deoxyriboseC3endo_O3H_O5P_anti_+sc C8 H8 sing . . G_deoxyriboseC3endo_O3H_O5P_anti_+sc N2 HA2 sing . . G_deoxyriboseC3endo_O3H_O5P_anti_+sc N2 HB2 sing . . G_deoxyriboseC3endo_O3H_O5P_anti_+sc C1* C2* sing 1.5192 0.0069 G_deoxyriboseC3endo_O3H_O5P_anti_+sc C2* C3* sing 1.5186 0.0110 G_deoxyriboseC3endo_O3H_O5P_anti_+sc C3* C4* sing 1.5212 0.0081 G_deoxyriboseC3endo_O3H_O5P_anti_+sc C4* O4* sing 1.4492 0.0060 G_deoxyriboseC3endo_O3H_O5P_anti_+sc O4* C1* sing 1.4123 0.0065 G_deoxyriboseC3endo_O3H_O5P_anti_+sc C3* O3* sing 1.4178 0.0067 G_deoxyriboseC3endo_O3H_O5P_anti_+sc C4* C5* sing 1.5120 0.0117 G_deoxyriboseC3endo_O3H_O5P_anti_+sc C5* O5* sing 1.4379 0.0099 G_deoxyriboseC3endo_O3H_O5P_anti_+sc C1* HA1* sing . . G_deoxyriboseC3endo_O3H_O5P_anti_+sc C2* HA2* sing . . G_deoxyriboseC3endo_O3H_O5P_anti_+sc C2* HB2* sing . . G_deoxyriboseC3endo_O3H_O5P_anti_+sc C3* HA3* sing . . G_deoxyriboseC3endo_O3H_O5P_anti_+sc C4* HA4* sing . . G_deoxyriboseC3endo_O3H_O5P_anti_+sc C5* HA5* sing . . G_deoxyriboseC3endo_O3H_O5P_anti_+sc C5* HB5* sing . . G_deoxyriboseC3endo_O3H_O5P_anti_+sc P O1P doub 1.485 0.017 G_deoxyriboseC3endo_O3H_O5P_anti_+sc P O2P sing 1.485 0.017 G_deoxyriboseC3endo_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 deoxyribose_purine C1* N9 sing 1 2 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_deoxyriboseC3endo_O3H_O5P_anti_+sc C6 N1 C2 125.09 0.66 2.45 0.01 G_deoxyriboseC3endo_O3H_O5P_anti_+sc N1 C2 N3 123.93 0.56 2.38 0.01 G_deoxyriboseC3endo_O3H_O5P_anti_+sc C2 N3 C4 111.87 0.61 2.22 0.01 G_deoxyriboseC3endo_O3H_O5P_anti_+sc N3 C4 C5 128.61 0.66 2.46 0.01 G_deoxyriboseC3endo_O3H_O5P_anti_+sc C4 C5 C6 118.80 0.68 2.41 0.01 G_deoxyriboseC3endo_O3H_O5P_anti_+sc C5 C6 N1 111.60 0.61 2.32 0.01 G_deoxyriboseC3endo_O3H_O5P_anti_+sc C4 C5 N7 110.76 0.51 2.28 0.01 G_deoxyriboseC3endo_O3H_O5P_anti_+sc C5 N7 C8 104.36 0.59 2.13 0.01 G_deoxyriboseC3endo_O3H_O5P_anti_+sc N7 C8 N9 113.12 0.67 2.24 0.01 G_deoxyriboseC3endo_O3H_O5P_anti_+sc C8 N9 C4 106.33 0.49 2.20 0.01 G_deoxyriboseC3endo_O3H_O5P_anti_+sc N9 C4 C5 105.41 0.42 2.19 0.01 G_deoxyriboseC3endo_O3H_O5P_anti_+sc N3 C4 N9 125.96 0.79 2.43 0.01 G_deoxyriboseC3endo_O3H_O5P_anti_+sc C6 C5 N7 130.42 0.66 2.54 0.01 G_deoxyriboseC3endo_O3H_O5P_anti_+sc N1 C2 N2 116.07 0.91 2.30 0.01 G_deoxyriboseC3endo_O3H_O5P_anti_+sc C6 C2 N2 143.71 0.76 3.62 0.01 G_deoxyriboseC3endo_O3H_O5P_anti_+sc N1 C6 O6 120.01 0.73 2.28 0.01 G_deoxyriboseC3endo_O3H_O5P_anti_+sc C5 C6 O6 128.36 0.66 2.39 0.01 G_deoxyriboseC3endo_O3H_O5P_anti_+sc C1* C2* C3* 102.80 0.51 2.37 0.02 G_deoxyriboseC3endo_O3H_O5P_anti_+sc C2* C3* C4* 102.26 0.57 2.37 0.01 G_deoxyriboseC3endo_O3H_O5P_anti_+sc C3* C4* O4* 104.79 0.66 2.35 0.01 G_deoxyriboseC3endo_O3H_O5P_anti_+sc C4* O4* C1* 110.21 0.61 2.35 0.01 G_deoxyriboseC3endo_O3H_O5P_anti_+sc O4* C1* C2* 107.01 0.63 2.36 0.01 G_deoxyriboseC3endo_O3H_O5P_anti_+sc C2* C3* O3* 112.71 2.71 2.44 0.04 G_deoxyriboseC3endo_O3H_O5P_anti_+sc C4* C3* O3* 112.97 1.78 2.45 0.03 G_deoxyriboseC3endo_O3H_O5P_anti_+sc C5* C4* C3* 115.64 1.14 2.57 0.01 G_deoxyriboseC3endo_O3H_O5P_anti_+sc C5* C4* O4* 109.36 0.32 2.42 0.01 G_deoxyriboseC3endo_O3H_O5P_anti_+sc O5* C5* C4* 111.28 1.54 2.42 0.02 G_deoxyriboseC3endo_O3H_O5P_anti_+sc O1P P O2P 119.6 1.5 . . G_deoxyriboseC3endo_O3H_O5P_anti_+sc O1P P O 108.3 3.2 . . G_deoxyriboseC3endo_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 deoxyribose_purine C4 N9 C1* 2 2 1 125.591 1.165644 2.528 0.015 deoxyribose_purine C8 N9 C1* 2 2 1 127.981 1.182104 2.554 0.019 deoxyribose_purine N9 C1* C2* 2 1 1 112.573 1.208603 2.499 0.019 deoxyribose_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_deoxyriboseC3endo_O3H_O5P_anti_+sc N1-C2-N3-C4 N1 C2 N3 C4 G_deoxyriboseC3endo_O3H_O5P_anti_+sc C2-N3-C4-C5 C2 N3 C4 C5 G_deoxyriboseC3endo_O3H_O5P_anti_+sc N3-C4-C5-C6 N3 C4 C5 C6 G_deoxyriboseC3endo_O3H_O5P_anti_+sc C4-C5-C6-N1 C4 C5 C6 N1 G_deoxyriboseC3endo_O3H_O5P_anti_+sc C5-C6-N1-C2 C5 C6 N1 C2 G_deoxyriboseC3endo_O3H_O5P_anti_+sc C6-N1-C2-N3 C6 N1 C2 N3 G_deoxyriboseC3endo_O3H_O5P_anti_+sc N9-C4-C5-N7 N9 C4 C5 N7 G_deoxyriboseC3endo_O3H_O5P_anti_+sc C4-C5-N7-C8 C4 C5 N7 C8 G_deoxyriboseC3endo_O3H_O5P_anti_+sc C5-N7-C8-N9 C5 N7 C8 N9 G_deoxyriboseC3endo_O3H_O5P_anti_+sc N7-C8-N9-C4 N7 C8 N9 C4 G_deoxyriboseC3endo_O3H_O5P_anti_+sc C8-N9-C4-C5 C8 N9 C4 C5 G_deoxyriboseC3endo_O3H_O5P_anti_+sc C6-N1-C2-N2 C6 N1 C2 N2 G_deoxyriboseC3endo_O3H_O5P_anti_+sc C2-N1-C6-O6 C2 N1 C6 O6 G_deoxyriboseC3endo_O3H_O5P_anti_+sc C4*-O4*-C1*-C2* C4* O4* C1* C2* G_deoxyriboseC3endo_O3H_O5P_anti_+sc O4*-C1*-C2*-C3* O4* C1* C2* C3* G_deoxyriboseC3endo_O3H_O5P_anti_+sc C1*-C2*-C3*-C4* C1* C2* C3* C4* G_deoxyriboseC3endo_O3H_O5P_anti_+sc C2*-C3*-C4*-O4* C2* C3* C4* O4* G_deoxyriboseC3endo_O3H_O5P_anti_+sc C3*-C4*-O4*-C1* C3* C4* O4* C1* G_deoxyriboseC3endo_O3H_O5P_anti_+sc C2*-C3*-C4*-C5* C2* C3* C4* C5* G_deoxyriboseC3endo_O3H_O5P_anti_+sc C3*-C4*-C5*-O5* C3* C4* C5* O5* G_deoxyriboseC3endo_O3H_O5P_anti_+sc O3*-C3*-C4*-C5* O3* C3* C4* C5* G_deoxyriboseC3endo_O3H_O5P_anti_+sc O4*-C4*-C3*-O3* O4* C4* C3* O3* G_deoxyriboseC3endo_O3H_O5P_anti_+sc O4*-C4*-C5*-O5* O4* C4* C5* O5* G_deoxyriboseC3endo_O3H_O5P_anti_+sc C5*-C4*-O4*-C1* C5* C4* O4* C1* G_deoxyriboseC3endo_O3H_O5P_anti_+sc C1*-C2*-C3*-O3* C1* C2* C3* O3* # _chem_link_tor.link_id deoxyribose_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_deoxyriboseC3endo_O3H_O5P_anti_+sc N1-C2-N3-C4 0.69 1.98 2.60 0.01 G_deoxyriboseC3endo_O3H_O5P_anti_+sc C2-N3-C4-C5 359.60 1.63 2.71 0.01 G_deoxyriboseC3endo_O3H_O5P_anti_+sc N3-C4-C5-C6 359.84 1.97 2.91 0.01 G_deoxyriboseC3endo_O3H_O5P_anti_+sc C4-C5-C6-N1 0.43 1.95 2.60 0.01 G_deoxyriboseC3endo_O3H_O5P_anti_+sc C5-C6-N1-C2 359.81 2.66 2.71 0.01 G_deoxyriboseC3endo_O3H_O5P_anti_+sc C6-N1-C2-N3 359.56 3.03 2.91 0.01 G_deoxyriboseC3endo_O3H_O5P_anti_+sc N9-C4-C5-N7 359.75 1.10 2.24 0.01 G_deoxyriboseC3endo_O3H_O5P_anti_+sc C4-C5-N7-C8 0.08 0.93 2.20 0.01 G_deoxyriboseC3endo_O3H_O5P_anti_+sc C5-N7-C8-N9 0.13 0.75 2.19 0.01 G_deoxyriboseC3endo_O3H_O5P_anti_+sc N7-C8-N9-C4 359.71 0.86 2.28 0.01 G_deoxyriboseC3endo_O3H_O5P_anti_+sc C8-N9-C4-C5 0.31 1.00 2.13 0.01 G_deoxyriboseC3endo_O3H_O5P_anti_+sc C6-N1-C2-N2 179.75 2.47 3.62 0.01 G_deoxyriboseC3endo_O3H_O5P_anti_+sc C2-N1-C6-O6 179.98 2.41 3.56 0.01 G_deoxyriboseC3endo_O3H_O5P_anti_+sc C4*-O4*-C1*-C2* 4.17 7.07 2.37 0.01 G_deoxyriboseC3endo_O3H_O5P_anti_+sc O4*-C1*-C2*-C3* 335.52 5.35 2.35 0.01 G_deoxyriboseC3endo_O3H_O5P_anti_+sc C1*-C2*-C3*-C4* 34.16 2.49 2.35 0.01 G_deoxyriboseC3endo_O3H_O5P_anti_+sc C2*-C3*-C4*-O4* 327.62 3.09 2.36 0.01 G_deoxyriboseC3endo_O3H_O5P_anti_+sc C3*-C4*-O4*-C1* 18.00 6.18 2.37 0.02 G_deoxyriboseC3endo_O3H_O5P_anti_+sc C2*-C3*-C4*-C5* 207.16 3.23 3.73 0.01 G_deoxyriboseC3endo_O3H_O5P_anti_+sc C3*-C4*-C5*-O5* 52.19 4.95 2.93 0.07 G_deoxyriboseC3endo_O3H_O5P_anti_+sc O3*-C3*-C4*-C5* 85.70 4.91 3.28 0.06 G_deoxyriboseC3endo_O3H_O5P_anti_+sc O4*-C4*-C3*-O3* 206.16 5.02 3.59 0.02 G_deoxyriboseC3endo_O3H_O5P_anti_+sc O4*-C4*-C5*-O5* 293.22 4.75 2.91 0.07 G_deoxyriboseC3endo_O3H_O5P_anti_+sc C5*-C4*-O4*-C1* 142.55 6.60 3.57 0.03 G_deoxyriboseC3endo_O3H_O5P_anti_+sc C1*-C2*-C3*-O3* 155.80 4.77 3.63 0.02 # _chem_link_tor_value.link_id deoxyribose_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_deoxyriboseC3endo_O3H_O5P_anti_+sc N1 C2 '1,2,5 ' gua 1.3711 1.3717 0.0006 G_deoxyriboseC3endo_O3H_O5P_anti_+sc C2 N3 '1,2,5 ' gua 1.3228 1.3232 0.0004 G_deoxyriboseC3endo_O3H_O5P_anti_+sc N3 C4 '1,2,5 ' gua 1.3516 1.3512 -0.0004 G_deoxyriboseC3endo_O3H_O5P_anti_+sc C4 C5 '1,2,5 ' gua 1.3802 1.3792 -0.0010 G_deoxyriboseC3endo_O3H_O5P_anti_+sc C5 C6 '1,2,5 ' gua 1.4171 1.4166 -0.0005 G_deoxyriboseC3endo_O3H_O5P_anti_+sc C6 N1 '1,2,5 ' gua 1.3912 1.3916 0.0004 G_deoxyriboseC3endo_O3H_O5P_anti_+sc C5 N7 '1,2,5 ' gua 1.3866 1.3867 0.0001 G_deoxyriboseC3endo_O3H_O5P_anti_+sc N7 C8 '1,2,5 ' gua 1.3056 1.3063 0.0007 G_deoxyriboseC3endo_O3H_O5P_anti_+sc C8 N9 '1,2,5 ' gua 1.3732 1.3736 0.0004 G_deoxyriboseC3endo_O3H_O5P_anti_+sc N9 C4 '1,2,5 ' gua 1.3757 1.3751 -0.0006 G_deoxyriboseC3endo_O3H_O5P_anti_+sc C2 N2 1 gua 1.3403 1.3403 0.0000 G_deoxyriboseC3endo_O3H_O5P_anti_+sc C6 O6 2 gua 1.2378 1.2379 0.0001 G_deoxyriboseC3endo_O3H_O5P_anti_+sc C8 H8 1 gua . . . G_deoxyriboseC3endo_O3H_O5P_anti_+sc N2 HA2 1 gua . . . G_deoxyriboseC3endo_O3H_O5P_anti_+sc N2 HB2 1 gua . . . G_deoxyriboseC3endo_O3H_O5P_anti_+sc C1* C2* 1 deoxyribose 1.5192 1.5192 0.0000 G_deoxyriboseC3endo_O3H_O5P_anti_+sc C2* C3* 1 deoxyribose 1.5184 1.5186 0.0002 G_deoxyriboseC3endo_O3H_O5P_anti_+sc C3* C4* 1 deoxyribose 1.5210 1.5212 0.0002 G_deoxyriboseC3endo_O3H_O5P_anti_+sc C4* O4* 1 deoxyribose 1.4492 1.4492 0.0000 G_deoxyriboseC3endo_O3H_O5P_anti_+sc O4* C1* 1 deoxyribose 1.4125 1.4123 -0.0002 G_deoxyriboseC3endo_O3H_O5P_anti_+sc C3* O3* '1 A' deoxyribose_C3endo_O3H 1.4178 1.4178 0.0000 G_deoxyriboseC3endo_O3H_O5P_anti_+sc C4* C5* 1 deoxyribose 1.5122 1.5120 -0.0002 G_deoxyriboseC3endo_O3H_O5P_anti_+sc C5* O5* '1 A' deoxyribose_O5P 1.4379 1.4379 0.0000 G_deoxyriboseC3endo_O3H_O5P_anti_+sc C1* HA1* 1 deoxyribose . . . G_deoxyriboseC3endo_O3H_O5P_anti_+sc C2* HA2* 1 deoxyribose . . . G_deoxyriboseC3endo_O3H_O5P_anti_+sc C2* HB2* 1 deoxyribose . . . G_deoxyriboseC3endo_O3H_O5P_anti_+sc C3* HA3* 1 deoxyribose . . . G_deoxyriboseC3endo_O3H_O5P_anti_+sc C4* HA4* 1 deoxyribose . . . G_deoxyriboseC3endo_O3H_O5P_anti_+sc C5* HA5* 1 deoxyribose . . . G_deoxyriboseC3endo_O3H_O5P_anti_+sc C5* HB5* 1 deoxyribose . . . G_deoxyriboseC3endo_O3H_O5P_anti_+sc P O1P 1 PO4_1 1.4850 1.4850 0.0000 G_deoxyriboseC3endo_O3H_O5P_anti_+sc P O2P 1 PO4_1 1.4849 1.4850 0.0001 G_deoxyriboseC3endo_O3H_O5P_anti_+sc P O 1 PO4_1 1.4851 1.4850 -0.0001 # 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 deoxyribose_purine C3endo_deoxyribose_purine C1* N9 1 2 1.4720 1.4722 0.0002 ribose_O5_PO4 phosphate_O5_1 P O5* 2 1 1.5931 1.5930 -0.0001 # 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_deoxyriboseC3endo_O3H_O5P_anti_+sc C6 N1 C2 gua 125.11 125.09 -0.02 G_deoxyriboseC3endo_O3H_O5P_anti_+sc N1 C2 N3 gua 123.93 123.93 0.00 G_deoxyriboseC3endo_O3H_O5P_anti_+sc C2 N3 C4 gua 111.96 111.87 -0.09 G_deoxyriboseC3endo_O3H_O5P_anti_+sc N3 C4 C5 gua 128.56 128.61 0.05 G_deoxyriboseC3endo_O3H_O5P_anti_+sc C4 C5 C6 gua 118.73 118.80 0.07 G_deoxyriboseC3endo_O3H_O5P_anti_+sc C5 C6 N1 gua 111.70 111.60 -0.10 G_deoxyriboseC3endo_O3H_O5P_anti_+sc C4 C5 N7 gua 110.70 110.76 0.06 G_deoxyriboseC3endo_O3H_O5P_anti_+sc C5 N7 C8 gua 104.41 104.36 -0.05 G_deoxyriboseC3endo_O3H_O5P_anti_+sc N7 C8 N9 gua 113.18 113.12 -0.06 G_deoxyriboseC3endo_O3H_O5P_anti_+sc C8 N9 C4 gua 106.29 106.33 0.04 G_deoxyriboseC3endo_O3H_O5P_anti_+sc N9 C4 C5 gua 105.43 105.41 -0.02 G_deoxyriboseC3endo_O3H_O5P_anti_+sc N3 C4 N9 gua 125.56 125.96 0.40 G_deoxyriboseC3endo_O3H_O5P_anti_+sc C6 C5 N7 gua 130.05 130.42 0.37 G_deoxyriboseC3endo_O3H_O5P_anti_+sc N1 C2 N2 gua 116.06 116.07 0.01 G_deoxyriboseC3endo_O3H_O5P_anti_+sc C6 C2 N2 gua 143.72 143.71 -0.01 G_deoxyriboseC3endo_O3H_O5P_anti_+sc N1 C6 O6 gua 119.97 120.01 0.04 G_deoxyriboseC3endo_O3H_O5P_anti_+sc C5 C6 O6 gua 128.32 128.36 0.04 G_deoxyriboseC3endo_O3H_O5P_anti_+sc C1* C2* C3* deoxyribose 102.80 102.80 0.00 G_deoxyriboseC3endo_O3H_O5P_anti_+sc C2* C3* C4* deoxyribose 102.25 102.26 0.01 G_deoxyriboseC3endo_O3H_O5P_anti_+sc C3* C4* O4* deoxyribose 104.86 104.79 -0.07 G_deoxyriboseC3endo_O3H_O5P_anti_+sc C4* O4* C1* deoxyribose 110.34 110.21 -0.13 G_deoxyriboseC3endo_O3H_O5P_anti_+sc O4* C1* C2* deoxyribose 107.05 107.01 -0.04 G_deoxyriboseC3endo_O3H_O5P_anti_+sc C2* C3* O3* deoxyribose 112.70 112.71 0.01 G_deoxyriboseC3endo_O3H_O5P_anti_+sc C4* C3* O3* deoxyribose 112.87 112.97 0.10 G_deoxyriboseC3endo_O3H_O5P_anti_+sc C5* C4* C3* deoxyribose 115.79 115.64 -0.15 G_deoxyriboseC3endo_O3H_O5P_anti_+sc C5* C4* O4* deoxyribose 109.35 109.36 0.01 G_deoxyriboseC3endo_O3H_O5P_anti_+sc O5* C5* C4* deoxyribose 111.39 111.28 -0.11 G_deoxyriboseC3endo_O3H_O5P_anti_+sc O1P P O2P PO4_1 119.14 119.60 0.46 G_deoxyriboseC3endo_O3H_O5P_anti_+sc O1P P O PO4_1 106.52 108.30 1.78 G_deoxyriboseC3endo_O3H_O5P_anti_+sc O2P P O PO4_1 105.53 107.30 1.77 # 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 deoxyribose_purine C3endo_deoxyribose_purine C4 N9 C1* 2 2 1 124.7432 125.5910 0.8478 deoxyribose_purine C3endo_deoxyribose_purine C8 N9 C1* 2 2 1 126.9206 127.9810 1.0604 deoxyribose_purine C3endo_deoxyribose_purine N9 C1* C2* 2 1 1 112.2464 112.5730 0.3266 deoxyribose_purine C3endo_deoxyribose_purine N9 C1* O4* 2 1 1 107.9993 108.1200 0.1207 ribose_O5_PO4 phosphate_O5_1 P O5* C5* 1 1 2 120.7673 120.9000 0.1327 ribose_O5_PO4 phosphate_O5_1 O5* P O1P 2 2 1 110.4157 110.7000 0.2843 ribose_O5_PO4 phosphate_O5_1 O5* P O2P 2 2 1 110.4204 110.7000 0.2796 ribose_O5_PO4 phosphate_O5_1 O P O5* 2 2 1 103.4427 104.0000 0.5573 # 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_deoxyriboseC3endo_O3H_O5P_anti_+sc N1-C2-N3-C4 gua 0.73 0.69 -0.04 G_deoxyriboseC3endo_O3H_O5P_anti_+sc C2-N3-C4-C5 gua 359.52 359.60 0.08 G_deoxyriboseC3endo_O3H_O5P_anti_+sc N3-C4-C5-C6 gua 359.82 359.84 0.02 G_deoxyriboseC3endo_O3H_O5P_anti_+sc C4-C5-C6-N1 gua 0.55 0.43 -0.12 G_deoxyriboseC3endo_O3H_O5P_anti_+sc C5-C6-N1-C2 gua 359.67 359.81 0.14 G_deoxyriboseC3endo_O3H_O5P_anti_+sc C6-N1-C2-N3 gua 359.64 359.56 -0.08 G_deoxyriboseC3endo_O3H_O5P_anti_+sc N9-C4-C5-N7 gua 359.76 359.75 -0.01 G_deoxyriboseC3endo_O3H_O5P_anti_+sc C4-C5-N7-C8 gua 0.06 0.08 0.02 G_deoxyriboseC3endo_O3H_O5P_anti_+sc C5-N7-C8-N9 gua 0.15 0.13 -0.02 G_deoxyriboseC3endo_O3H_O5P_anti_+sc N7-C8-N9-C4 gua 359.70 359.71 0.01 G_deoxyriboseC3endo_O3H_O5P_anti_+sc C8-N9-C4-C5 gua 0.31 0.31 0.00 G_deoxyriboseC3endo_O3H_O5P_anti_+sc C6-N1-C2-N2 gua 179.73 179.75 0.02 G_deoxyriboseC3endo_O3H_O5P_anti_+sc C2-N1-C6-O6 gua 180.01 179.98 -0.03 G_deoxyriboseC3endo_O3H_O5P_anti_+sc C4*-O4*-C1*-C2* deoxyribose 4.67 4.17 -0.50 G_deoxyriboseC3endo_O3H_O5P_anti_+sc O4*-C1*-C2*-C3* deoxyribose 334.97 335.52 0.55 G_deoxyriboseC3endo_O3H_O5P_anti_+sc C1*-C2*-C3*-C4* deoxyribose 34.53 34.16 -0.37 G_deoxyriboseC3endo_O3H_O5P_anti_+sc C2*-C3*-C4*-O4* deoxyribose 327.54 327.62 0.08 G_deoxyriboseC3endo_O3H_O5P_anti_+sc C3*-C4*-O4*-C1* deoxyribose 17.73 18.00 0.27 G_deoxyriboseC3endo_O3H_O5P_anti_+sc C2*-C3*-C4*-C5* deoxyribose 206.95 207.16 0.21 G_deoxyriboseC3endo_O3H_O5P_anti_+sc C3*-C4*-C5*-O5* all_ribose_gamma 52.53 52.19 -0.34 G_deoxyriboseC3endo_O3H_O5P_anti_+sc O3*-C3*-C4*-C5* deoxyribose 85.60 85.70 0.10 G_deoxyriboseC3endo_O3H_O5P_anti_+sc O4*-C4*-C3*-O3* deoxyribose 206.19 206.16 -0.03 G_deoxyriboseC3endo_O3H_O5P_anti_+sc O4*-C4*-C5*-O5* all_ribose_gamma 294.40 293.22 -1.18 G_deoxyriboseC3endo_O3H_O5P_anti_+sc C5*-C4*-O4*-C1* deoxyribose 142.49 142.55 0.06 G_deoxyriboseC3endo_O3H_O5P_anti_+sc C1*-C2*-C3*-O3* deoxyribose 156.00 155.80 -0.20 # _ndb_chem_link_tor.link_id deoxyribose_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 193.49 _ndb_chem_link_tor.value_angle 193.30 _ndb_chem_link_tor.value_angle_delta -0.19 # 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 ; cezbis deoxyribose 1 3.50 0.001-0.005A '2'-DEOXYADENOSINE' 'T.SATO 1984, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 40, 880' docytc deoxyribose 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 deoxyribose 1 4.20 0.006-0.010A 'N-4--(UREIDOCARBONYL)-2'DEOXYCYTIDINE' 'S.KUMAR,N.J.LEONARD 1988, J.ORG.CHEM., 53, 3959' hevxov deoxyribose 1 3.00 0.001-0.005A '5-HYDROXYMETHYL-2'-DEOXYCYTIDINE' ;JUN LI,S.V.P.KUMAR,A.L.STUART,L.T.J.DELBAERE,S.V.GUPTA 1994, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 50, 1837 ; jappev deoxyribose 1 4.90 0.006-0.010A ;5-METHYL-2'-DEOXYCYTIDINE 5'-MONOPHOSPHATE DIHYDRATE (ABSOLUTE CONFIGURATION) ; ;H.N.LALITHA,S.RAMAKUMAR,M.A.VISWAMITRA 1989, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 45, 1652 ; zozvuf deoxyribose 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 ; cezbis deoxyribose_C3endo_O3H 1 3.50 0.001-0.005A '2'-DEOXYADENOSINE' 'T.SATO 1984, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 40, 880' docytc deoxyribose_C3endo_O3H 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 deoxyribose_C3endo_O3H 1 4.20 0.006-0.010A 'N-4--(UREIDOCARBONYL)-2'DEOXYCYTIDINE' 'S.KUMAR,N.J.LEONARD 1988, J.ORG.CHEM., 53, 3959' hevxov deoxyribose_C3endo_O3H 1 3.00 0.001-0.005A '5-HYDROXYMETHYL-2'-DEOXYCYTIDINE' ;JUN LI,S.V.P.KUMAR,A.L.STUART,L.T.J.DELBAERE,S.V.GUPTA 1994, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 50, 1837 ; jappev deoxyribose_C3endo_O3H 1 4.90 0.006-0.010A ;5-METHYL-2'-DEOXYCYTIDINE 5'-MONOPHOSPHATE DIHYDRATE (ABSOLUTE CONFIGURATION) ; ;H.N.LALITHA,S.RAMAKUMAR,M.A.VISWAMITRA 1989, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 45, 1652 ; zozvuf deoxyribose_C3endo_O3H 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 ; boxgie deoxyribose_O5P 1 4.50 0.006-0.010A ;DISODIUM DEOXYCYTIDINE-5'-PHOSPHATE HEPTAHYDRATE ; ;J.PANDIT,T.P.SESHADRI,M.A.VISWAMITRA 1983, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 39, 342 ; dinyii10 deoxyribose_O5P 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 deoxyribose_O5P 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' fikhai deoxyribose_O5P 1 5.40 0.001-0.005A '2'-DEOXY-3',5'-DI-O-ACETYL-ADENOSINE' 'L.H.KOOLE,H.M.BUCK,J.A.KANTERS,A.SCHOUTEN 1987, CAN.J.CHEM., 65, 326' fikhai01 deoxyribose_O5P 1 4.80 0.006-0.010A '3',5'-DI-O-ACETYL-2'-DEOXYADENOSINE' 'J.N.LOW,R.A.HOWIE 1988, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 44, 2202' gebtem deoxyribose_O5P 1 3.30 0.001-0.005A '5'-ACETYLTHYMIDINE' 'T.SATO 1988, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 44, 691' jafhih deoxyribose_O5P 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 deoxyribose_O5P 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' yevjak deoxyribose_O5P 1 6.70 0.006-0.010A '3',5'-DI-O-ACETYL-3-NITROTHYMIDINE' ;X.ARIZA,V.BOU,J.VILARRASA,V.TERESHKO,J.L.CAMPOS 1994, ANGEW.CHEM.,INT.ED.ENGL., 33, 2454 ; yevjak deoxyribose_O5P 2 6.70 0.006-0.010A '3',5'-DI-O-ACETYL-3-NITROTHYMIDINE' ;X.ARIZA,V.BOU,J.VILARRASA,V.TERESHKO,J.L.CAMPOS 1994, ANGEW.CHEM.,INT.ED.ENGL., 33, 2454 ; jappev deoxyribose_O5P 1 4.90 0.006-0.010A ;5-METHYL-2'-DEOXYCYTIDINE 5'-MONOPHOSPHATE DIHYDRATE (ABSOLUTE CONFIGURATION) ; ;H.N.LALITHA,S.RAMAKUMAR,M.A.VISWAMITRA 1989, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 45, 1652 ; 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 . . . . . . 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 . . . . . #