data_D1P
# 
_chem_comp.id                                    D1P 
_chem_comp.name                                  "2'-DEOXY-RIBOFURANOSE-5'-PHOSPHATE" 
_chem_comp.type                                  "DNA LINKING" 
_chem_comp.pdbx_type                             ATOMN 
_chem_comp.formula                               "C5 H11 O7 P" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         "ABASIC DEOXYRIBOSE" 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     1999-07-08 
_chem_comp.pdbx_modified_date                    2009-01-07 
_chem_comp.pdbx_ambiguous_flag                   N 
_chem_comp.pdbx_release_status                   OBS 
_chem_comp.pdbx_replaced_by                      ORP 
_chem_comp.pdbx_replaces                         ? 
_chem_comp.formula_weight                        214.110 
_chem_comp.one_letter_code                       N 
_chem_comp.three_letter_code                     D1P 
_chem_comp.pdbx_model_coordinates_details        ? 
_chem_comp.pdbx_model_coordinates_missing_flag   N 
_chem_comp.pdbx_ideal_coordinates_details        ? 
_chem_comp.pdbx_ideal_coordinates_missing_flag   N 
_chem_comp.pdbx_model_coordinates_db_code        1SSP 
_chem_comp.pdbx_subcomponent_list                ? 
_chem_comp.pdbx_processing_site                  EBI 
# 
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.alt_atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.charge 
_chem_comp_atom.pdbx_align 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_leaving_atom_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.model_Cartn_x 
_chem_comp_atom.model_Cartn_y 
_chem_comp_atom.model_Cartn_z 
_chem_comp_atom.pdbx_model_Cartn_x_ideal 
_chem_comp_atom.pdbx_model_Cartn_y_ideal 
_chem_comp_atom.pdbx_model_Cartn_z_ideal 
_chem_comp_atom.pdbx_component_atom_id 
_chem_comp_atom.pdbx_component_comp_id 
_chem_comp_atom.pdbx_ordinal 
D1P OP3    O3P  O 0 1 N Y N 45.742 2.067  14.379 1.012  0.757  3.678  OP3    D1P 1  
D1P P      P    P 0 1 N N N 44.520 1.061  14.139 0.140  -0.055 2.596  P      D1P 2  
D1P OP1    O1P  O 0 1 N N N 44.971 -0.084 13.311 0.617  -1.454 2.529  OP1    D1P 3  
D1P OP2    O2P  O 0 1 N N N 43.886 0.815  15.437 -1.408 -0.035 3.032  OP2    D1P 4  
D1P "O5'"  O5*  O 0 1 N N N 43.515 1.889  13.231 0.300  0.635  1.150  "O5'"  D1P 5  
D1P "C5'"  C5*  C 0 1 N N N 42.949 3.109  13.715 -0.492 -0.127 0.238  "C5'"  D1P 6  
D1P "C4'"  C4*  C 0 1 N N R 42.369 3.902  12.573 -0.384 0.479  -1.161 "C4'"  D1P 7  
D1P "O4'"  O4*  O 0 1 N N N 41.328 3.144  11.917 0.975  0.424  -1.611 "O4'"  D1P 8  
D1P "C3'"  C3*  C 0 1 N N S 41.740 5.216  13.018 -1.238 -0.338 -2.153 "C3'"  D1P 9  
D1P "O3'"  O3*  O 0 1 N N N 42.220 6.272  12.198 -2.484 0.310  -2.414 "O3'"  D1P 10 
D1P "C2'"  C2*  C 0 1 N N N 40.247 4.991  12.886 -0.345 -0.352 -3.424 "C2'"  D1P 11 
D1P "C1'"  C1*  C 0 1 N N S 40.149 3.938  11.806 1.067  -0.392 -2.790 "C1'"  D1P 12 
D1P "O1'"  O1*  O 0 1 N N N 40.158 4.525  10.500 2.032  0.149  -3.694 "O1'"  D1P 13 
D1P HOP3   3HOP H 0 0 N N N 45.453 2.800  14.909 0.889  0.312  4.528  HOP3   D1P 14 
D1P HOP2   2HOP H 0 0 N N N 43.160 0.218  15.294 -1.678 0.892  3.063  HOP2   D1P 15 
D1P "H5'"  1H5* H 0 1 N N N 42.199 2.929  14.520 -1.533 -0.112 0.562  "H5'"  D1P 16 
D1P "H5''" 2H5* H 0 0 N N N 43.684 3.704  14.304 -0.133 -1.156 0.217  "H5''" D1P 17 
D1P "H4'"  H4*  H 0 1 N N N 43.224 4.117  11.891 -0.727 1.513  -1.143 "H4'"  D1P 18 
D1P "H3'"  H3*  H 0 1 N N N 41.995 5.508  14.063 -1.400 -1.351 -1.783 "H3'"  D1P 19 
D1P "HO'3" 3HO* H 0 0 N N N 41.827 7.091  12.475 -2.927 -0.201 -3.104 "HO'3" D1P 20 
D1P "H2'"  1H2* H 0 1 N N N 39.732 4.726  13.839 -0.486 0.554  -4.013 "H2'"  D1P 21 
D1P "H2''" 2H2* H 0 0 N N N 39.654 5.914  12.687 -0.531 -1.241 -4.026 "H2''" D1P 22 
D1P "H1'"  H1*  H 0 1 N N N 39.204 3.359  11.932 1.333  -1.414 -2.522 "H1'"  D1P 23 
D1P "HO1'" HO1* H 0 0 N N N 39.372 5.054  10.426 2.886  0.120  -3.241 "HO1'" D1P 24 
# 
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.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal 
D1P OP3   P      SING N N 1  
D1P OP3   HOP3   SING N N 2  
D1P P     OP1    DOUB N N 3  
D1P P     OP2    SING N N 4  
D1P P     "O5'"  SING N N 5  
D1P OP2   HOP2   SING N N 6  
D1P "O5'" "C5'"  SING N N 7  
D1P "C5'" "C4'"  SING N N 8  
D1P "C5'" "H5'"  SING N N 9  
D1P "C5'" "H5''" SING N N 10 
D1P "C4'" "O4'"  SING N N 11 
D1P "C4'" "C3'"  SING N N 12 
D1P "C4'" "H4'"  SING N N 13 
D1P "O4'" "C1'"  SING N N 14 
D1P "C3'" "O3'"  SING N N 15 
D1P "C3'" "C2'"  SING N N 16 
D1P "C3'" "H3'"  SING N N 17 
D1P "O3'" "HO'3" SING N N 18 
D1P "C2'" "C1'"  SING N N 19 
D1P "C2'" "H2'"  SING N N 20 
D1P "C2'" "H2''" SING N N 21 
D1P "C1'" "O1'"  SING N N 22 
D1P "C1'" "H1'"  SING N N 23 
D1P "O1'" "HO1'" SING N N 24 
# 
loop_
_pdbx_chem_comp_descriptor.comp_id 
_pdbx_chem_comp_descriptor.type 
_pdbx_chem_comp_descriptor.program 
_pdbx_chem_comp_descriptor.program_version 
_pdbx_chem_comp_descriptor.descriptor 
D1P SMILES           ACDLabs              10.04 "O=P(OCC1OC(O)CC1O)(O)O"                                                                            
D1P InChI            InChI                1.02b "InChI=1/C5H11O7P/c6-3-1-5(7)12-4(3)2-11-13(8,9)10/h3-7H,1-2H2,(H2,8,9,10)/t3-,4+,5-/m0/s1/f/h8-9H" 
D1P InChIKey         InChI                1.02b KKZFLSZAWCYPOC-RKYSHWLBDZ                                                                           
D1P SMILES_CANONICAL CACTVS               3.341 "O[C@@H]1C[C@H](O)[C@@H](CO[P](O)(O)=O)O1"                                                          
D1P SMILES           CACTVS               3.341 "O[CH]1C[CH](O)[CH](CO[P](O)(O)=O)O1"                                                               
D1P SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 "C1[C@@H]([C@H](O[C@@H]1O)COP(=O)(O)O)O"                                                            
D1P SMILES           "OpenEye OEToolkits" 1.5.0 "C1C(C(OC1O)COP(=O)(O)O)O"                                                                          
# 
loop_
_pdbx_chem_comp_identifier.comp_id 
_pdbx_chem_comp_identifier.type 
_pdbx_chem_comp_identifier.program 
_pdbx_chem_comp_identifier.program_version 
_pdbx_chem_comp_identifier.identifier 
D1P "SYSTEMATIC NAME" ACDLabs              10.04 2-deoxy-5-O-phosphono-alpha-D-erythro-pentofuranose                
D1P "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 "[(2R,3S,5S)-3,5-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate" 
# 
