data_GM0
#

_chem_comp.id                                   GM0
_chem_comp.name                                 4-O-phosphono-L-glycero-alpha-D-manno-heptopyranose
_chem_comp.type                                 "D-saccharide, alpha linking"
_chem_comp.pdbx_type                            ATOMS
_chem_comp.formula                              "C7 H15 O10 P"
_chem_comp.mon_nstd_parent_comp_id              GMH
_chem_comp.pdbx_synonyms                        
;4-O-phosphono-L-glycero-alpha-D-manno-heptose; 4-O-phosphono-L-glycero-D-manno-heptose;
4-O-phosphono-L-glycero-manno-heptose
;

_chem_comp.pdbx_formal_charge                   0
_chem_comp.pdbx_initial_date                    2012-07-05
_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                       290.162
_chem_comp.one_letter_code                      ?
_chem_comp.three_letter_code                    GM0
_chem_comp.pdbx_model_coordinates_details       ?
_chem_comp.pdbx_model_coordinates_missing_flag  N
_chem_comp.pdbx_ideal_coordinates_details       Corina
_chem_comp.pdbx_ideal_coordinates_missing_flag  N
_chem_comp.pdbx_model_coordinates_db_code       3V0W
_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  GM0  4-O-phosphono-L-glycero-alpha-D-manno-heptose  PDB  ?  
2  GM0  4-O-phosphono-L-glycero-D-manno-heptose        PDB  ?  
3  GM0  4-O-phosphono-L-glycero-manno-heptose          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
GM0  P    P    P  0  1  N  N  N  -13.185  -54.784  18.768  -2.592  -0.070  -0.104  P    GM0   1  
GM0  C1   C1   C  0  1  N  N  S  -18.296  -53.669  16.555   2.896  -0.943  -0.110  C1   GM0   2  
GM0  O1A  O1   O  0  1  N  N  N  -13.761  -54.136  20.082  -3.024  -1.397   0.699  O1A  GM0   3  
GM0  C2   C2   C  0  1  N  N  S  -17.074  -53.093  15.855   1.955  -2.092   0.261  C2   GM0   4  
GM0  O2   O2   O  0  1  N  N  N  -16.714  -51.795  16.478   1.736  -2.093   1.673  O2   GM0   5  
GM0  C3   C3   C  0  1  N  N  R  -15.790  -54.013  16.166   0.619  -1.902  -0.464  C3   GM0   6  
GM0  O3   O3   O  0  1  N  N  N  -14.725  -53.419  15.556  -0.291  -2.930  -0.067  O3   GM0   7  
GM0  C4   C4   C  0  1  N  N  S  -15.558  -54.073  17.704   0.039  -0.533  -0.094  C4   GM0   8  
GM0  O4   O4   O  0  1  N  N  N  -14.531  -55.131  18.032  -1.171  -0.314  -0.820  O4   GM0   9  
GM0  C5   C5   C  0  1  N  N  R  -16.819  -54.694  18.272   1.054   0.556  -0.451  C5   GM0  10  
GM0  O5   O5   O  0  1  N  N  N  -17.981  -53.887  18.004   2.284   0.302   0.233  O5   GM0  11  
GM0  C6   C6   C  0  1  N  N  S  -16.819  -54.937  19.836   0.508   1.921  -0.029  C6   GM0  12  
GM0  O6   O6   O  0  1  N  N  N  -16.250  -53.804  20.531   0.170   1.890   1.360  O6   GM0  13  
GM0  C7   C7   C  0  1  N  N  N  -18.222  -55.085  20.346   1.572   2.993  -0.271  C7   GM0  14  
GM0  O7   O7   O  0  1  N  N  N  -18.040  -55.837  21.645   1.023   4.282   0.013  O7   GM0  15  
GM0  O8   O8   O  0  1  N  N  N  -12.391  -56.230  18.936  -3.704   0.269  -1.218  O8   GM0  16  
GM0  O9   O9   O  0  1  N  N  N  -12.142  -54.005  18.187  -2.480   1.064   0.841  O9   GM0  17  
GM0  H1   H1   H  0  1  N  N  N  -19.128  -52.954  16.468   3.833  -1.050   0.436  H1   GM0  18  
GM0  O1   O10  O  0  1  N  Y  N  -18.650  -54.916  15.950   3.156  -0.975  -1.515  O1   GM0  19  
GM0  H2   H2   H  0  1  N  N  N  -17.230  -53.006  14.770   2.401  -3.040  -0.039  H2   GM0  20  
GM0  HO2  HO2  H  0  1  N  Y  N  -15.951  -51.435  16.042   2.541  -2.204   2.196  HO2  GM0  21  
GM0  H3   H3   H  0  1  N  N  N  -15.979  -55.027  15.784   0.778  -1.952  -1.541  H3   GM0  22  
GM0  HO3  HO3  H  0  1  N  Y  N  -13.942  -53.932  15.715   0.016  -3.825  -0.266  HO3  GM0  23  
GM0  H4   H4   H  0  1  N  N  N  -15.325  -53.089  18.136  -0.167  -0.503   0.976  H4   GM0  24  
GM0  H5   H5   H  0  1  N  N  N  -16.953  -55.676  17.795   1.229   0.551  -1.527  H5   GM0  25  
GM0  H6   H6   H  0  1  N  N  N  -16.246  -55.851  20.052  -0.382   2.153  -0.614  H6   GM0  26  
GM0  HO6  HO6  H  0  1  N  Y  N  -16.259  -53.969  21.467   0.916   1.689   1.941  HO6  GM0  27  
GM0  H71  H7   H  0  1  N  N  N  -18.684  -54.102  20.521   2.427   2.811   0.380  H71  GM0  28  
GM0  H72  H7A  H  0  1  N  N  N  -18.840  -55.660  19.640   1.894   2.957  -1.312  H72  GM0  29  
GM0  HO7  HO7  H  0  1  N  Y  N  -18.887  -55.981  22.050   1.644   5.012  -0.120  HO7  GM0  30  
GM0  H13  H13  H  0  1  N  N  N  -13.304  -53.323  20.261  -3.117  -2.181   0.141  H13  GM0  31  
GM0  H14  H14  H  0  1  N  N  N  -11.502  -56.143  18.613  -4.587   0.428  -0.857  H14  GM0  32  
GM0  HO1  H15  H  0  1  N  Y  N  -19.413  -55.275  16.387   3.747  -0.273  -1.821  HO1  GM0  33  
#   #
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
GM0  P    O1A  SING  N  N   1  
GM0  P    O4   SING  N  N   2  
GM0  P    O8   SING  N  N   3  
GM0  P    O9   DOUB  N  N   4  
GM0  C1   C2   SING  N  N   5  
GM0  C1   O5   SING  N  N   6  
GM0  C1   H1   SING  N  N   7  
GM0  C1   O1   SING  N  N   8  
GM0  C2   O2   SING  N  N   9  
GM0  C2   C3   SING  N  N  10  
GM0  C2   H2   SING  N  N  11  
GM0  O2   HO2  SING  N  N  12  
GM0  C3   O3   SING  N  N  13  
GM0  C3   C4   SING  N  N  14  
GM0  C3   H3   SING  N  N  15  
GM0  O3   HO3  SING  N  N  16  
GM0  C4   O4   SING  N  N  17  
GM0  C4   C5   SING  N  N  18  
GM0  C4   H4   SING  N  N  19  
GM0  C5   O5   SING  N  N  20  
GM0  C5   C6   SING  N  N  21  
GM0  C5   H5   SING  N  N  22  
GM0  C6   O6   SING  N  N  23  
GM0  C6   C7   SING  N  N  24  
GM0  C6   H6   SING  N  N  25  
GM0  O6   HO6  SING  N  N  26  
GM0  C7   O7   SING  N  N  27  
GM0  C7   H71  SING  N  N  28  
GM0  C7   H72  SING  N  N  29  
GM0  O7   HO7  SING  N  N  30  
GM0  O1A  H13  SING  N  N  31  
GM0  O8   H14  SING  N  N  32  
GM0  O1   HO1  SING  N  N  33  
#   #
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
GM0  SMILES            ACDLabs               12.01  "O=P(O)(O)OC1C(OC(O)C(O)C1O)C(O)CO"  
GM0  InChI             InChI                 1.03   "InChI=1S/C7H15O10P/c8-1-2(9)5-6(17-18(13,14)15)3(10)4(11)7(12)16-5/h2-12H,1H2,(H2,13,14,15)/t2-,3+,4-,5+,6-,7-/m0/s1"  
GM0  InChIKey          InChI                 1.03   JDFMKMOMBHLESC-OPTWKVKHSA-N  
GM0  SMILES_CANONICAL  CACTVS                3.370  "OC[C@H](O)[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O[P](O)(O)=O"  
GM0  SMILES            CACTVS                3.370  "OC[CH](O)[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O[P](O)(O)=O"  
GM0  SMILES_CANONICAL  "OpenEye OEToolkits"  1.7.6  "C(C(C1C(C(C(C(O1)O)O)O)OP(=O)(O)O)O)O"  
GM0  SMILES            "OpenEye OEToolkits"  1.7.6  "C(C(C1C(C(C(C(O1)O)O)O)OP(=O)(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
GM0  "SYSTEMATIC NAME"  ACDLabs               12.01  4-O-phosphono-L-glycero-alpha-D-manno-heptopyranose  
GM0  "SYSTEMATIC NAME"  "OpenEye OEToolkits"  1.7.6  "[2-[1,2-bis(oxidanyl)ethyl]-4,5,6-tris(oxidanyl)oxan-3-yl] dihydrogen phosphate"  
#
_pdbx_chem_comp_related.comp_id            GM0
_pdbx_chem_comp_related.related_comp_id    GMH
_pdbx_chem_comp_related.relationship_type  "Carbohydrate core"
_pdbx_chem_comp_related.details            ?
#   #
loop_
_pdbx_chem_comp_atom_related.ordinal
_pdbx_chem_comp_atom_related.comp_id
_pdbx_chem_comp_atom_related.atom_id
_pdbx_chem_comp_atom_related.related_comp_id
_pdbx_chem_comp_atom_related.related_atom_id
_pdbx_chem_comp_atom_related.related_type
 1  GM0  C1   GMH  C1   "Carbohydrate core"  
 2  GM0  C2   GMH  C2   "Carbohydrate core"  
 3  GM0  C3   GMH  C3   "Carbohydrate core"  
 4  GM0  C4   GMH  C4   "Carbohydrate core"  
 5  GM0  C5   GMH  C5   "Carbohydrate core"  
 6  GM0  C6   GMH  C6   "Carbohydrate core"  
 7  GM0  C7   GMH  C7   "Carbohydrate core"  
 8  GM0  O1   GMH  O1   "Carbohydrate core"  
 9  GM0  O2   GMH  O2   "Carbohydrate core"  
10  GM0  O3   GMH  O3   "Carbohydrate core"  
11  GM0  O4   GMH  O4   "Carbohydrate core"  
12  GM0  O5   GMH  O5   "Carbohydrate core"  
13  GM0  O6   GMH  O6   "Carbohydrate core"  
14  GM0  O7   GMH  O7   "Carbohydrate core"  
15  GM0  H1   GMH  H1   "Carbohydrate core"  
16  GM0  HO1  GMH  HO1  "Carbohydrate core"  
17  GM0  H2   GMH  H2   "Carbohydrate core"  
18  GM0  H3   GMH  H3   "Carbohydrate core"  
19  GM0  H4   GMH  H4   "Carbohydrate core"  
20  GM0  H5   GMH  H5   "Carbohydrate core"  
21  GM0  H6   GMH  H6   "Carbohydrate core"  
22  GM0  H71  GMH  H71  "Carbohydrate core"  
23  GM0  H72  GMH  H72  "Carbohydrate core"  
24  GM0  HO2  GMH  HO2  "Carbohydrate core"  
25  GM0  HO3  GMH  HO3  "Carbohydrate core"  
26  GM0  HO6  GMH  HO6  "Carbohydrate core"  
27  GM0  HO7  GMH  HO7  "Carbohydrate core"  
#   #
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
GM0  "CARBOHYDRATE ISOMER"                  D         PDB  ?  
GM0  "CARBOHYDRATE RING"                    pyranose  PDB  ?  
GM0  "CARBOHYDRATE ANOMER"                  alpha     PDB  ?  
GM0  "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
GM0  "Create component"          2012-07-05  RCSB  
GM0  "Initial release"           2012-11-30  RCSB  
GM0  "Other modification"        2020-07-03  RCSB  
GM0  "Modify parent residue"     2020-07-17  RCSB  
GM0  "Modify synonyms"           2020-07-17  RCSB  
GM0  "Modify internal type"      2020-07-17  RCSB  
GM0  "Modify linking type"       2020-07-17  RCSB  
GM0  "Modify atom id"            2020-07-17  RCSB  
GM0  "Modify component atom id"  2020-07-17  RCSB  
GM0  "Modify leaving atom flag"  2020-07-17  RCSB  
##
