Structure of PDB 7twe Chain B Binding Site BS01

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 IDMN
InChIInChI=1S/Mn/q+2
InChIKeyWAEMQWOKJMHJLA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mn+2]
CACTVS 3.341[Mn++]
FormulaMn
NameMANGANESE (II) ION
ChEMBL
DrugBankDB06757
ZINC
PDB chain7twe Chain B Residue 501 [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)		H200 D202 H340
Binding residue
(residue number reindexed from 1)		H180 D182 H320
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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