Structure of PDB 7a5q Chain B Binding Site BS02

Receptor Information
>7a5q Chain B (length=299) Species: 666 (Vibrio cholerae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ATTLKMGMQASVGSVEYNSAKMLADTLEEMSQGEIKLALYPSAQLGDDRA
MLQQLTLGDLDITYAEFGRMGLWIPRAEAVMLPYVAKDFDHLRRMFESDF
GQGVRDEMLQKFNWRALDTWYNGTRETTSNRPLNSIEDFKGLKLRVPNAK
QNLNYAKLSGASPTPMSFSEVYLALQTNAVDGQENPLPTIKTMKFYEVQK
NLAMTHHIVNDQMVIISESTWQKLSDTDKDIIQKAVQKVGDAHTQTVKTQ
EAELVSFFKSEGINVTYPDLEPFREAMQPLYKEFDSNIGQPIVSKLAAM
Ligand information
Ligand IDBGC
InChIInChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1
InChIKeyWQZGKKKJIJFFOK-VFUOTHLCSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.370OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
CACTVS 3.370OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.7.6C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O
ACDLabs 12.01OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namebeta-D-glucopyranose;
beta-D-glucose;
D-glucose;
glucose
ChEMBLCHEMBL1614854
DrugBankDB02379
ZINCZINC000003833800
PDB chain7a5q Chain B Residue 418 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7a5q Triggering Closure of a Sialic Acid TRAP Transporter Substrate Binding Protein through Binding of Natural or Artificial Substrates.
Resolution1.68 Å
Binding residue
(original residue number in PDB)		R131 D181
Binding residue
(residue number reindexed from 1)		R131 D181
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0055085 transmembrane transport
Cellular Component
GO:0030288 outer membrane-bounded periplasmic space
GO:0042597 periplasmic space

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Biological Process
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Cellular Component
External links
PDB RCSB:7a5q, PDBe:7a5q, PDBj:7a5q
PDBsum7a5q
PubMed33316271
UniProtQ9KR64|SIAP_VIBCH Sialic acid-binding periplasmic protein SiaP (Gene Name=siaP)

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