data_GRF
#

_chem_comp.id                                   GRF
_chem_comp.name                                 5-O-phosphono-beta-D-ribofuranosylamine
_chem_comp.type                                 "D-saccharide, beta linking"
_chem_comp.pdbx_type                            ATOMS
_chem_comp.formula                              "C5 H12 N O7 P"
_chem_comp.mon_nstd_parent_comp_id              ?
_chem_comp.pdbx_synonyms                        "5-O-phosphono-beta-D-ribosylamine; 5-O-phosphono-D-ribosylamine; 5-O-phosphono-ribosylamine"
_chem_comp.pdbx_formal_charge                   0
_chem_comp.pdbx_initial_date                    2005-06-16
_chem_comp.pdbx_modified_date                   2020-07-17
_chem_comp.pdbx_ambiguous_flag                  N
_chem_comp.pdbx_release_status                  REL
_chem_comp.pdbx_replaced_by                     ?
_chem_comp.pdbx_replaces                        ?
_chem_comp.formula_weight                       229.125
_chem_comp.one_letter_code                      ?
_chem_comp.three_letter_code                    GRF
_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       1ZLY
_chem_comp.pdbx_subcomponent_list               ?
_chem_comp.pdbx_processing_site                 RCSB
#   #
loop_
_pdbx_chem_comp_synonyms.ordinal
_pdbx_chem_comp_synonyms.comp_id
_pdbx_chem_comp_synonyms.name
_pdbx_chem_comp_synonyms.provenance
_pdbx_chem_comp_synonyms.type
1  GRF  5-O-phosphono-beta-D-ribosylamine  PDB  ?  
2  GRF  5-O-phosphono-D-ribosylamine       PDB  ?  
3  GRF  5-O-phosphono-ribosylamine         PDB  ?  
#   #
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
GRF  C3    C1    C  0  1  N  N  S  40.632  27.187  31.545   1.892  -1.028   0.441  C3    GRF   1  
GRF  O3    O6    O  0  1  N  N  N  41.644  26.860  30.620   2.201  -2.278  -0.180  O3    GRF   2  
GRF  C2    C2    C  0  1  N  N  R  40.963  28.424  32.418   3.136  -0.109   0.460  C2    GRF   3  
GRF  O2    O8    O  0  1  N  N  N  41.697  29.362  31.703   4.252  -0.764  -0.148  O2    GRF   4  
GRF  C1    C3    C  0  1  N  N  R  39.571  28.909  32.912   2.704   1.120  -0.370  C1    GRF   5  
GRF  O4    O4    O  0  1  N  N  N  38.650  28.316  32.009   1.262   1.136  -0.286  O4    GRF   6  
GRF  C4    C5    C  0  1  N  N  R  39.286  27.489  30.962   0.859  -0.246  -0.399  C4    GRF   7  
GRF  C5    C10   C  0  1  N  N  N  38.443  26.305  30.627  -0.549  -0.439   0.168  C5    GRF   8  
GRF  O5    O12   O  0  1  N  N  N  38.576  25.280  31.619  -1.491   0.257  -0.650  O5    GRF   9  
GRF  N19   N19   N  0  1  N  N  N  39.169  28.491  34.296   3.263   2.349   0.208  N19   GRF  10  
GRF  P15   P15   P  0  1  N  N  N  37.862  23.875  31.645  -2.943   0.013   0.002  P15   GRF  11  
GRF  O16   O16   O  0  1  N  N  N  38.472  23.032  32.658  -3.001   0.701   1.456  O16   GRF  12  
GRF  O17   O17   O  0  1  N  N  N  37.886  23.235  30.334  -3.186  -1.441   0.134  O17   GRF  13  
GRF  O18   O18   O  0  1  N  N  N  36.391  24.237  32.199  -4.072   0.661  -0.945  O18   GRF  14  
GRF  H3    H1    H  0  1  N  N  N  40.591  26.243  32.137   1.519  -1.188   1.453  H3    GRF  15  
GRF  HO3   HO6   H  0  1  N  Y  N  41.441  26.101  30.084   2.847  -2.720   0.387  HO3   GRF  16  
GRF  H2    H2    H  0  1  N  N  N  41.626  28.207  33.287   3.378   0.186   1.481  H2    GRF  17  
GRF  HO2   HO8   H  0  1  N  Y  N  41.899  30.120  32.238   4.994  -0.146  -0.108  HO2   GRF  18  
GRF  H1    H3    H  0  1  N  N  N  39.594  30.023  32.946   3.023   1.010  -1.406  H1    GRF  19  
GRF  H4    H5    H  0  1  N  N  N  39.396  27.984  29.969   0.895  -0.568  -1.440  H4    GRF  20  
GRF  H51   H101  H  0  1  N  N  N  37.376  26.590  30.472  -0.793  -1.501   0.181  H51   GRF  21  
GRF  H52   H102  H  0  1  N  N  N  38.665  25.918  29.605  -0.588  -0.044   1.183  H52   GRF  22  
GRF  H191  H191  H  0  0  N  N  N  38.255  28.809  34.620   2.927   3.115  -0.357  H191  GRF  23  
GRF  H192  H192  H  0  0  N  N  N  39.887  28.774  34.962   2.845   2.457   1.120  H192  GRF  24  
GRF  H16   H16   H  0  1  N  N  N  38.041  22.185  32.673  -2.838   1.645   1.325  H16   GRF  25  
GRF  H18   H18   H  0  1  N  N  N  35.960  23.390  32.214  -4.924   0.493  -0.519  H18   GRF  26  
#   #
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
GRF  C3   O3    SING  N  N   1  
GRF  C3   C2    SING  N  N   2  
GRF  C3   C4    SING  N  N   3  
GRF  C3   H3    SING  N  N   4  
GRF  O3   HO3   SING  N  N   5  
GRF  C2   O2    SING  N  N   6  
GRF  C2   C1    SING  N  N   7  
GRF  C2   H2    SING  N  N   8  
GRF  O2   HO2   SING  N  N   9  
GRF  C1   O4    SING  N  N  10  
GRF  C1   N19   SING  N  N  11  
GRF  C1   H1    SING  N  N  12  
GRF  O4   C4    SING  N  N  13  
GRF  C4   C5    SING  N  N  14  
GRF  C4   H4    SING  N  N  15  
GRF  C5   O5    SING  N  N  16  
GRF  C5   H51   SING  N  N  17  
GRF  C5   H52   SING  N  N  18  
GRF  O5   P15   SING  N  N  19  
GRF  N19  H191  SING  N  N  20  
GRF  N19  H192  SING  N  N  21  
GRF  P15  O16   SING  N  N  22  
GRF  P15  O17   DOUB  N  N  23  
GRF  P15  O18   SING  N  N  24  
GRF  O16  H16   SING  N  N  25  
GRF  O18  H18   SING  N  N  26  
#   #
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
GRF  SMILES            ACDLabs               10.04  "O=P(O)(O)OCC1OC(N)C(O)C1O"  
GRF  SMILES_CANONICAL  CACTVS                3.341  "N[C@@H]1O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]1O"  
GRF  SMILES            CACTVS                3.341  "N[CH]1O[CH](CO[P](O)(O)=O)[CH](O)[CH]1O"  
GRF  SMILES_CANONICAL  "OpenEye OEToolkits"  1.5.0  "C([C@@H]1[C@H]([C@H]([C@@H](O1)N)O)O)OP(=O)(O)O"  
GRF  SMILES            "OpenEye OEToolkits"  1.5.0  "C(C1C(C(C(O1)N)O)O)OP(=O)(O)O"  
GRF  InChI             InChI                 1.03   "InChI=1S/C5H12NO7P/c6-5-4(8)3(7)2(13-5)1-12-14(9,10)11/h2-5,7-8H,1,6H2,(H2,9,10,11)/t2-,3-,4-,5-/m1/s1"  
GRF  InChIKey          InChI                 1.03   SKCBPEVYGOQGJN-TXICZTDVSA-N  
#   #
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
GRF  "SYSTEMATIC NAME"  ACDLabs               10.04  5-O-phosphono-beta-D-ribofuranosylamine  
GRF  "SYSTEMATIC NAME"  "OpenEye OEToolkits"  1.5.0  "[(2R,3S,4R,5R)-5-amino-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate"  
#   #
loop_
_pdbx_chem_comp_feature.comp_id
_pdbx_chem_comp_feature.type
_pdbx_chem_comp_feature.value
_pdbx_chem_comp_feature.source
_pdbx_chem_comp_feature.support
GRF  "CARBOHYDRATE ISOMER"                  D         PDB  ?  
GRF  "CARBOHYDRATE RING"                    furanose  PDB  ?  
GRF  "CARBOHYDRATE ANOMER"                  beta      PDB  ?  
GRF  "CARBOHYDRATE PRIMARY CARBONYL GROUP"  aldose    PDB  ?  
#   #
loop_
_pdbx_chem_comp_audit.comp_id
_pdbx_chem_comp_audit.action_type
_pdbx_chem_comp_audit.date
_pdbx_chem_comp_audit.processing_site
GRF  "Create component"          2005-06-16  RCSB  
GRF  "Modify descriptor"         2011-06-04  RCSB  
GRF  "Other modification"        2020-07-03  RCSB  
GRF  "Modify name"               2020-07-17  RCSB  
GRF  "Modify synonyms"           2020-07-17  RCSB  
GRF  "Modify internal type"      2020-07-17  RCSB  
GRF  "Modify linking type"       2020-07-17  RCSB  
GRF  "Modify atom id"            2020-07-17  RCSB  
GRF  "Modify component atom id"  2020-07-17  RCSB  
GRF  "Modify leaving atom flag"  2020-07-17  RCSB  
##
