Structure of PDB 7cb5 Chain A Binding Site BS02

Receptor Information
>7cb5 Chain A (length=466) Species: 426430 (Staphylococcus aureus subsp. aureus str. Newman) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MTQQIGVIGLAVMGKNLAWNIESRGYSVSVFNRSSEKTDLMVEESKGKNI
HPTYSLEEFVNSLEKPRKILLMVQAGKATDATIDSLLPLLDDGDILIDGG
NTNYQDTIRRNKALAQSAINFIGMGVSGGEIGALTGPSLMPGGQEEAYNK
VADILDAIAAKAKDGASCVTYIGPNGAGHYVKMVHNGIEYADMQLIAESY
AMMKELLGMSHEDIAQTFKDWNAGELESYLIEITGDIFMKLDENKEALVE
KILDTAGQKGTGKWTSINALELGIPLTIITESVFARFISSIKEERVNASK
ELNGPKASFDGDKKDFLEKIRKALYMSKICSYAQGFAQMRKASEDNEWNL
KLGDLAMIWREGCIIRAQFLQKIKDAYDNNPGLQNLLLDPYFKNIVTEYQ
DALRDVVATGVQNGVPTPGFSSSINYYDSYRAADLPANLIQAQRDYFGAH
TYERKDKEGVFHTQWI
Ligand information
Ligand ID6PG
InChIInChI=1S/C6H13O10P/c7-2(1-16-17(13,14)15)3(8)4(9)5(10)6(11)12/h2-5,7-10H,1H2,(H,11,12)(H2,13,14,15)/t2-,3-,4+,5-/m1/s1
InChIKeyBIRSGZKFKXLSJQ-SQOUGZDYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H](O)[C@@H](O)C(O)=O
OpenEye OEToolkits 1.5.0C([C@H]([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O)OP(=O)(O)O
ACDLabs 10.04O=P(O)(O)OCC(O)C(O)C(O)C(O)C(=O)O
OpenEye OEToolkits 1.5.0C(C(C(C(C(C(=O)O)O)O)O)O)OP(=O)(O)O
CACTVS 3.341O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)[CH](O)C(O)=O
FormulaC6 H13 O10 P
Name6-PHOSPHOGLUCONIC ACID
ChEMBLCHEMBL1230513
DrugBankDB02076
ZINCZINC000001532623
PDB chain7cb5 Chain B Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7cb5 Multi-target mode of action of silver against Staphylococcus aureus endows it with capability to combat antibiotic resistance.
Resolution2.54 Å
Binding residue
(original residue number in PDB)		R444 H450
Binding residue
(residue number reindexed from 1)		R444 H450
Annotation score5
Enzymatic activity
Enzyme Commision number 1.1.1.44: phosphogluconate dehydrogenase (NADP(+)-dependent, decarboxylating).
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0004616 phosphogluconate dehydrogenase (decarboxylating) activity
GO:0016491 oxidoreductase activity
GO:0050661 NADP binding
Biological Process
GO:0006098 pentose-phosphate shunt
GO:0009051 pentose-phosphate shunt, oxidative branch
GO:0016054 organic acid catabolic process
GO:0019521 D-gluconate metabolic process
GO:0046177 D-gluconate catabolic process
Cellular Component
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7cb5, PDBe:7cb5, PDBj:7cb5
PDBsum7cb5
PubMed34099682
UniProtA0A0H3KGN1

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