# Minimized with a chisquare of 4.986813. ################################################################################ # # File: Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc # Date: 08-Dec-97 18:04:56 # # 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_Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc # _chem_comp.id Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc _chem_comp.name ;protonated 2'-deoxyadenosine-5'-phosphate ; _chem_comp.type 'DNA linking' _chem_comp.model_details ;Model constructed for protonated 2'-deoxyadenosine-5'-phosphate from subcomponents for protonated 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 'H11 C10 N5 O6 P1 ' _chem_comp.formula_weight 328.23 _chem_comp.number_atoms_all 33 _chem_comp.number_atoms_nh 22 _chem_comp.ndb_formal_charge -1 # loop_ _ndb_composite.comp_id _ndb_composite.sub_comp_id _ndb_composite.sub_type _ndb_composite.details Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc ade_pro base 'Model constructed for protonated adenine with an N9-glycosidic linkage.' Apro_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. ; Apro_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 ade_pro 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 11 ade_pro 512 ;Mon Dec 8 13:22:33 1997 ; 'Sep 15 19:34:11 BST 1996' Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc csd 6 deoxyribose 512 ;Mon Dec 8 13:29:26 1997 ; 'Sep 15 19:34:11 BST 1996' Apro_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' Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc csd 11 deoxyribose_O5P 512 ;Mon Dec 8 13:52:27 1997 ; 'Sep 15 19:34:11 BST 1996' Apro_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' Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc ndb 15 PO4_1 . . . Apro_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' Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc csd 12 C3endo_purine_anti . . . Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc ndb 15 phosphate_O5_1 . . . Apro_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 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc N1 N base 1 2.0987 1.0947 -1.8269 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C2 C base 0 1.6482 1.7763 -0.7537 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc N3 N base 0 2.3822 2.3027 0.1784 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C4 C base 0 3.7041 2.0944 -0.0363 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C5 C base 0 4.2789 1.4283 -1.1042 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C6 C base 0 3.4214 0.8975 -2.0823 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc N7 N base 0 5.5989 1.1293 -0.8406 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C8 C base 0 5.7906 1.6125 0.3598 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc N9 N base 0 4.6799 2.2094 0.9001 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc N6 N base 0 3.7980 0.2225 -3.1463 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc H2 H base 0 . . . Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc H8 H base 0 . . . Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc HA6 H base 0 . . . Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc HB6 H base 0 . . . Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C1* C sugar 0 4.2475 2.0735 2.2976 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C2* C sugar 0 3.0003 2.8541 2.6632 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C3* C sugar 0 3.1590 3.0105 4.1608 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C4* C sugar 0 4.6693 3.1849 4.3151 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C5* C sugar 0 5.2296 2.6049 5.5924 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc O3* O sugar 0 2.4203 4.0789 4.7279 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc O4* O sugar 0 5.2595 2.4992 3.1812 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc O5* O sugar 0 4.8739 1.2128 5.5811 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc HA1* H sugar 0 . . . Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc HA2* H sugar 0 . . . Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc HB2* H sugar 0 . . . Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc HA3* H sugar 0 . . . Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc HA4* H sugar 0 . . . Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc HA5* H sugar 0 . . . Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc HB5* H sugar 0 . . . Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc P P phosphate 0 4.4448 0.5742 4.1861 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc O1P O phosphate 0 4.4254 1.6278 3.1334 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc O2P O phosphate -1 5.1883 -0.6850 3.9401 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc O O phosphate -1 3.0335 0.1695 4.3998 # 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 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc 1 C1* 4 3 sign 2.49 0.03 sign 54.18 0.78 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc 2 C3* 4 3 sign -2.51 0.10 sign -51.72 2.87 Apro_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 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc O4* 1 2 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C2* 1 3 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc N 2 1 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C2* 2 2 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C4* 2 3 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc O3* 3 1 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C3* 3 2 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc O4* 3 3 Apro_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 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc N1 C2 sing 1.3577 0.0088 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C2 N3 doub 1.3015 0.0058 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc N3 C4 sing 1.3554 0.0047 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C4 C5 doub 1.3764 0.0076 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C5 C6 sing 1.4018 0.0079 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C6 N1 doub 1.3616 0.0089 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C5 N7 sing 1.3786 0.0044 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc N7 C8 doub 1.3103 0.0055 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C8 N9 sing 1.3715 0.0088 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc N9 C4 sing 1.3596 0.0066 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C6 N6 sing 1.3150 0.0084 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C2 H2 sing . . Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C8 H8 sing . . Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc N6 HA6 sing . . Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc N6 HB6 sing . . Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C1* C2* sing 1.5192 0.0069 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C2* C3* sing 1.5186 0.0110 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C3* C4* sing 1.5212 0.0081 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C4* O4* sing 1.4492 0.0060 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc O4* C1* sing 1.4123 0.0065 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C3* O3* sing 1.4178 0.0067 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C4* C5* sing 1.5120 0.0117 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C5* O5* sing 1.4379 0.0099 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C1* HA1* sing . . Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C2* HA2* sing . . Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C2* HB2* sing . . Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C3* HA3* sing . . Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C4* HA4* sing . . Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C5* HA5* sing . . Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C5* HB5* sing . . Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc P O1P doub 1.485 0.017 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc P O2P sing 1.485 0.017 Apro_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 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C6 N1 C2 122.88 0.94 2.39 0.01 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc N1 C2 N3 126.02 0.50 2.37 0.01 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C2 N3 C4 111.70 0.42 2.20 0.00 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc N3 C4 C5 127.15 0.64 2.45 0.01 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C4 C5 C6 118.31 0.76 2.39 0.01 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C5 C6 N1 113.88 0.43 2.32 0.01 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C4 C5 N7 110.96 0.34 2.27 0.01 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C5 N7 C8 103.59 0.31 2.11 0.01 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc N7 C8 N9 113.61 0.40 2.24 0.00 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C8 N9 C4 105.83 0.42 2.18 0.01 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc N9 C4 C5 106.00 0.50 2.19 0.01 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc N3 C4 N9 126.84 0.45 2.43 0.01 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C6 C5 N7 130.71 0.57 2.53 0.01 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc N1 C6 N6 120.39 0.71 2.32 0.01 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C5 C6 N6 125.72 0.52 2.42 0.01 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C1* C2* C3* 102.80 0.51 2.37 0.02 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C2* C3* C4* 102.26 0.57 2.37 0.01 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C3* C4* O4* 104.79 0.66 2.35 0.01 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C4* O4* C1* 110.21 0.61 2.35 0.01 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc O4* C1* C2* 107.01 0.63 2.36 0.01 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C2* C3* O3* 112.71 2.71 2.44 0.04 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C4* C3* O3* 112.97 1.78 2.45 0.03 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C5* C4* C3* 115.64 1.14 2.57 0.01 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C5* C4* O4* 109.36 0.32 2.42 0.01 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc O5* C5* C4* 111.28 1.54 2.42 0.02 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc O1P P O2P 119.6 1.5 . . Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc O1P P O 108.3 3.2 . . Apro_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 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc N1-C2-N3-C4 N1 C2 N3 C4 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C2-N3-C4-C5 C2 N3 C4 C5 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc N3-C4-C5-C6 N3 C4 C5 C6 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C4-C5-C6-N1 C4 C5 C6 N1 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C5-C6-N1-C2 C5 C6 N1 C2 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C6-N1-C2-N3 C6 N1 C2 N3 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc N9-C4-C5-N7 N9 C4 C5 N7 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C4-C5-N7-C8 C4 C5 N7 C8 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C5-N7-C8-N9 C5 N7 C8 N9 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc N7-C8-N9-C4 N7 C8 N9 C4 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C8-N9-C4-C5 C8 N9 C4 C5 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C2-N1-C6-N6 C2 N1 C6 N6 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C4*-O4*-C1*-C2* C4* O4* C1* C2* Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc O4*-C1*-C2*-C3* O4* C1* C2* C3* Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C1*-C2*-C3*-C4* C1* C2* C3* C4* Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C2*-C3*-C4*-O4* C2* C3* C4* O4* Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C3*-C4*-O4*-C1* C3* C4* O4* C1* Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C2*-C3*-C4*-C5* C2* C3* C4* C5* Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C3*-C4*-C5*-O5* C3* C4* C5* O5* Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc O3*-C3*-C4*-C5* O3* C3* C4* C5* Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc O4*-C4*-C3*-O3* O4* C4* C3* O3* Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc O4*-C4*-C5*-O5* O4* C4* C5* O5* Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C5*-C4*-O4*-C1* C5* C4* O4* C1* Apro_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 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc N1-C2-N3-C4 359.80 0.80 2.61 0.01 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C2-N3-C4-C5 359.87 1.33 2.67 0.01 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc N3-C4-C5-C6 0.53 1.74 2.86 0.01 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C4-C5-C6-N1 359.43 1.76 2.61 0.01 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C5-C6-N1-C2 0.30 2.25 2.67 0.01 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C6-N1-C2-N3 0.11 2.01 2.86 0.01 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc N9-C4-C5-N7 0.25 0.78 2.24 0.00 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C4-C5-N7-C8 359.81 0.58 2.18 0.01 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C5-N7-C8-N9 0.06 0.74 2.19 0.01 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc N7-C8-N9-C4 0.09 0.99 2.27 0.01 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C8-N9-C4-C5 359.80 0.93 2.11 0.01 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C2-N1-C6-N6 180.46 2.17 3.58 0.01 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C4*-O4*-C1*-C2* 4.17 7.07 2.37 0.01 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc O4*-C1*-C2*-C3* 335.52 5.35 2.35 0.01 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C1*-C2*-C3*-C4* 34.16 2.49 2.35 0.01 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C2*-C3*-C4*-O4* 327.62 3.09 2.36 0.01 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C3*-C4*-O4*-C1* 18.00 6.18 2.37 0.02 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C2*-C3*-C4*-C5* 207.16 3.23 3.73 0.01 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C3*-C4*-C5*-O5* 52.19 4.95 2.93 0.07 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc O3*-C3*-C4*-C5* 85.70 4.91 3.28 0.06 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc O4*-C4*-C3*-O3* 206.16 5.02 3.59 0.02 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc O4*-C4*-C5*-O5* 293.22 4.75 2.91 0.07 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C5*-C4*-O4*-C1* 142.55 6.60 3.57 0.03 Apro_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 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc N1 C2 '1,2,5 ' ade_pro 1.3488 1.3577 0.0089 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C2 N3 '1,2,5 ' ade_pro 1.2980 1.3015 0.0035 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc N3 C4 '1,2,5 ' ade_pro 1.3553 1.3554 0.0001 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C4 C5 '1,2,5 ' ade_pro 1.3836 1.3764 -0.0072 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C5 C6 '1,2,5 ' ade_pro 1.4049 1.4018 -0.0031 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C6 N1 '1,2,5 ' ade_pro 1.3615 1.3616 0.0001 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C5 N7 '1,2,5 ' ade_pro 1.3789 1.3786 -0.0003 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc N7 C8 '1,2,5 ' ade_pro 1.3082 1.3103 0.0021 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C8 N9 '1,2,5 ' ade_pro 1.3717 1.3715 -0.0002 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc N9 C4 '1,2,5 ' ade_pro 1.3573 1.3596 0.0023 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C6 N6 1 ade_pro 1.3151 1.3150 -0.0001 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C2 H2 1 ade_pro . . . Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C8 H8 1 ade_pro . . . Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc N6 HA6 1 ade_pro . . . Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc N6 HB6 1 ade_pro . . . Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C1* C2* 1 deoxyribose 1.5161 1.5192 0.0031 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C2* C3* 1 deoxyribose 1.5141 1.5186 0.0045 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C3* C4* 1 deoxyribose 1.5282 1.5212 -0.0070 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C4* O4* 1 deoxyribose 1.4506 1.4492 -0.0014 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc O4* C1* 1 deoxyribose 1.4093 1.4123 0.0030 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C3* O3* '1 A' deoxyribose_C3endo_O3H 1.4174 1.4178 0.0004 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C4* C5* 1 deoxyribose 1.5106 1.5120 0.0014 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C5* O5* '1 A' deoxyribose_O5P 1.4369 1.4379 0.0010 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C1* HA1* 1 deoxyribose . . . Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C2* HA2* 1 deoxyribose . . . Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C2* HB2* 1 deoxyribose . . . Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C3* HA3* 1 deoxyribose . . . Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C4* HA4* 1 deoxyribose . . . Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C5* HA5* 1 deoxyribose . . . Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C5* HB5* 1 deoxyribose . . . Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc P O1P 1 PO4_1 1.4895 1.4850 -0.0045 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc P O2P 1 PO4_1 1.4829 1.4850 0.0021 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc P O 1 PO4_1 1.4837 1.4850 0.0013 # 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 1.4692 1.4722 0.0030 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 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C6 N1 C2 ade_pro 123.16 122.88 -0.28 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc N1 C2 N3 ade_pro 125.98 126.02 0.04 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C2 N3 C4 ade_pro 112.05 111.70 -0.35 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc N3 C4 C5 ade_pro 126.97 127.15 0.18 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C4 C5 C6 ade_pro 117.76 118.31 0.55 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C5 C6 N1 ade_pro 114.05 113.88 -0.17 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C4 C5 N7 ade_pro 110.77 110.96 0.19 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C5 N7 C8 ade_pro 103.62 103.59 -0.03 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc N7 C8 N9 ade_pro 113.80 113.61 -0.19 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C8 N9 C4 ade_pro 105.88 105.83 -0.05 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc N9 C4 C5 ade_pro 105.94 106.00 0.06 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc N3 C4 N9 ade_pro 125.38 126.84 1.46 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C6 C5 N7 ade_pro 129.45 130.71 1.26 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc N1 C6 N6 ade_pro 120.29 120.39 0.10 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C5 C6 N6 ade_pro 125.62 125.72 0.10 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C1* C2* C3* deoxyribose 101.86 102.80 0.94 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C2* C3* C4* deoxyribose 102.43 102.26 -0.17 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C3* C4* O4* deoxyribose 105.62 104.79 -0.83 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C4* O4* C1* deoxyribose 109.92 110.21 0.29 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc O4* C1* C2* deoxyribose 106.50 107.01 0.51 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C2* C3* O3* deoxyribose 114.77 112.71 -2.06 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C4* C3* O3* deoxyribose 112.87 112.97 0.10 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C5* C4* C3* deoxyribose 114.09 115.64 1.55 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C5* C4* O4* deoxyribose 109.18 109.36 0.18 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc O5* C5* C4* deoxyribose 105.87 111.28 5.41 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc O1P P O2P PO4_1 119.34 119.60 0.26 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc O1P P O PO4_1 106.40 108.30 1.90 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc O2P P O PO4_1 105.62 107.30 1.68 # 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 1 115.8984 125.5910 9.6926 deoxyribose_purine C3endo_deoxyribose_purine C8 N9 C1* 2 2 1 124.9363 127.9810 3.0447 deoxyribose_purine C3endo_deoxyribose_purine N9 C1* C2* 2 1 1 115.0794 112.5730 -2.5064 deoxyribose_purine C3endo_deoxyribose_purine N9 C1* O4* 2 1 1 110.9242 108.1200 -2.8042 ribose_O5_PO4 phosphate_O5_1 P O5* C5* 1 1 2 117.5118 120.9000 3.3882 ribose_O5_PO4 phosphate_O5_1 O5* P O1P 2 2 1 109.8067 110.7000 0.8933 ribose_O5_PO4 phosphate_O5_1 O5* P O2P 2 2 1 110.5228 110.7000 0.1772 ribose_O5_PO4 phosphate_O5_1 O P O5* 2 2 1 103.8515 104.0000 0.1485 # 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 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc N1-C2-N3-C4 ade_pro 359.99 359.80 -0.19 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C2-N3-C4-C5 ade_pro 0.87 359.87 359.00 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc N3-C4-C5-C6 ade_pro 359.76 0.53 -359.23 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C4-C5-C6-N1 ade_pro 358.82 359.43 0.61 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C5-C6-N1-C2 ade_pro 2.04 0.30 -1.74 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C6-N1-C2-N3 ade_pro 358.46 0.11 -358.35 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc N9-C4-C5-N7 ade_pro 0.01 0.25 0.24 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C4-C5-N7-C8 ade_pro 359.99 359.81 -0.18 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C5-N7-C8-N9 ade_pro 0.00 0.06 0.06 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc N7-C8-N9-C4 ade_pro 0.00 0.09 0.09 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C8-N9-C4-C5 ade_pro 360.00 359.80 -0.20 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C2-N1-C6-N6 ade_pro 179.95 180.46 0.51 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C4*-O4*-C1*-C2* deoxyribose 16.72 4.17 -12.55 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc O4*-C1*-C2*-C3* deoxyribose 326.78 335.52 8.74 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C1*-C2*-C3*-C4* deoxyribose 35.90 34.16 -1.74 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C2*-C3*-C4*-O4* deoxyribose 332.91 327.62 -5.29 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C3*-C4*-O4*-C1* deoxyribose 6.72 18.00 11.28 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C2*-C3*-C4*-C5* deoxyribose 213.00 207.16 -5.84 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C3*-C4*-C5*-O5* all_ribose_gamma 57.82 52.19 -5.63 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc O3*-C3*-C4*-C5* deoxyribose 89.03 85.70 -3.33 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc O4*-C4*-C3*-O3* deoxyribose 208.94 206.16 -2.78 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc O4*-C4*-C5*-O5* all_ribose_gamma 299.93 293.22 -6.71 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C5*-C4*-O4*-C1* deoxyribose 129.82 142.55 12.73 Apro_deoxyriboseC3endo_O3H_O5P_anti_+sc C1*-C2*-C3*-O3* deoxyribose 158.59 155.80 -2.79 # _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 193.09 _ndb_chem_link_tor.value_angle 193.30 _ndb_chem_link_tor.value_angle_delta 0.21 # 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 adoshc ade_pro 1 3.70 0.001-0.005A 'ADENOSINE HYDROCHLORIDE' 'K.SHIKATA,T.UEKI,T.MITSUI 1973, ACTA CRYSTALLOGR.,SECT.B, 29, 31' adposd ade_pro 1 4.30 0.006-0.010A ;ADENOSINE-3'-PHOSPHATE DIHYDRATE ; 'M.SUNDARALINGAM 1966, ACTA CRYSTALLOGR., 21, 495' arfuad01 ade_pro 1 4.50 0.006-0.010A 'ARABINOFURANOSYL-ADENINE HYDROCHLORIDE' 'T.HATA,S.SATO,M.KANEKO,B.SHIMIZU,C.TAMURA 1974, BULL.CHEM.SOC.JPN., 47, 2758' cugnex ade_pro 1 5.30 0.006-0.010A ;N-(1'-(9-ADENYL)-BETA-D-RIBOFURANURONOSYL)-L-PHENYLALANINE HEMIHYDRATE ETHANOL SOLVATE ; ;F.TAKUSAGAWA,H.M.BERMAN,M.DABROW,R.K.ROBINS 1985, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 41, 400 ; cugnex ade_pro 2 5.30 0.006-0.010A ;N-(1'-(9-ADENYL)-BETA-D-RIBOFURANURONOSYL)-L-PHENYLALANINE HEMIHYDRATE ETHANOL SOLVATE ; ;F.TAKUSAGAWA,H.M.BERMAN,M.DABROW,R.K.ROBINS 1985, ACTA CRYSTALLOGR.,SECT.C (CR.STR.COMM.), 41, 400 ; kitrek ade_pro 1 3.20 0.001-0.005A ;9-(2'-PHOSPHONOMETHOXYETHYL)ADENINE (IN VIVO ANTIRETROVIRUS ACTIVITY) ; 'C.H.SCHWALBE,W.THOMSON,S.FREEMAN 1991, J.CHEM.SOC.,PERKIN TRANS.1,, 1348' madend ade_pro 1 5.40 0.001-0.005A '1,9-DIMETHYL-ADENINIUM CHLORIDE' ;C.C.CHIANG,L.A.EPPS,L.G.MARZILLI,T.J.KISTENMACHER 1979, ACTA CRYSTALLOGR.,SECT.B, 35, 2237 ; madend ade_pro 2 5.40 0.001-0.005A '1,9-DIMETHYL-ADENINIUM CHLORIDE' ;C.C.CHIANG,L.A.EPPS,L.G.MARZILLI,T.J.KISTENMACHER 1979, ACTA CRYSTALLOGR.,SECT.B, 35, 2237 ; slcada10 ade_pro 1 4.90 0.006-0.010A '9-METHYLADENINE SALICYLATE' 'R.W.GELLERT,I.-N.HSU 1983, J.CRYSTALLOGR.SPECTROSC.RES., 13, 99' tahjiv ade_pro 1 2.90 0.001-0.005A ;2'-O-SUCCINYLADENOSINE 3',5'-(CYCLIC)PHOSPHATE MONOHYDRATE ; 'N.PADMAJA,S.R.RAMAKUMAR,M.A.VISWAMITRA 1991, BULL.CHEM.SOC.JPN., 64, 1359' zokrew ade_pro 1 4.40 0.001-0.005A '9-METHYLADENINIUM NITRATE' 'G.BANDOLI,A.DOLMELLA,S.GATTO 1995, J.CHEM.CRYST., 25, 143' 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 . . . . . #