Structure of PDB 7twe Chain B Binding Site BS02

Receptor Information
>7twe Chain B (length=395) Species: 214092 (Yersinia pestis CO92) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LHIDDIPAAIKAVKQQLRQALPDYQQVFQAVEENIRQQVMEIRRNLAEGK
NPVPQLHADDIINGKVTEEQKAQIKQRGCCAILGVFPQEKATAWNREIGD
YLDRNNFVERLKQIYGIYWSTPQVEARQDKRMQAVQIFLNNLWQTESNGK
QHFDANRVVTYADRTRRRPPKSSSLGLSPHVDGGSIERWLDENFRHVYRH
VFSGQWQKYDPFAAEGRPEVREFPSPAVCSMFRTFQGWTALTPQRTHAGT
LNVIPIANAMAYILLRALQDDVADDDLCGAAPGRALSASEQWHPLLMEAI
SPIPDLEAGDTVFWHCDVIHSVENEHNGEFDSNVMYIAAAPWCEKNAAYL
PRQLASFIDGRSPPDFAADDFEVDFIGRATIKNLTEIGKQQLGIT
Ligand information
Ligand IDAKG
InChIInChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)
InChIKeyKPGXRSRHYNQIFN-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)C(=O)CCC(=O)O
OpenEye OEToolkits 1.7.6C(CC(=O)O)C(=O)C(=O)O
CACTVS 3.385OC(=O)CCC(=O)C(O)=O
FormulaC5 H6 O5
Name2-OXOGLUTARIC ACID
ChEMBLCHEMBL1686
DrugBankDB08845
ZINCZINC000001532519
PDB chain7twe Chain B Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB7twe Crystal Structure of the Putative Oxidoreductase of DUF1479-containing Protein Family YPO2976 from Yersinia pestis Bound to 2-oxo-glutaric acid
Resolution2.41 Å
Binding residue
(original residue number in PDB)		R186 H200 Q256 H340 V342 Y356
Binding residue
(residue number reindexed from 1)		R166 H180 Q236 H320 V322 Y336
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:7twe, PDBe:7twe, PDBj:7twe
PDBsum7twe
PubMed
UniProtA0A2U2H2N4

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