Structure of PDB 6xbq Chain A Binding Site BS01

Receptor Information
>6xbq Chain A (length=144) Species: 100226 (Streptomyces coelicolor A3(2)) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SLTRIDHIGIACHDLDATVEFYRATYGFEVFHTEVNEEQGVREAMLKIND
TSDGGASYLQLLEPTREDSAVGKWLAKNGEGVHHIAFGTADVDADAADIR
DKGVRVLYDEPRRGSMGSRITFLHPKDCHGVLTELVTSAAVESP
Ligand information
Ligand IDCO
InChIInChI=1S/Co/q+2
InChIKeyXLJKHNWPARRRJB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Co+2]
CACTVS 3.341[Co++]
FormulaCo
NameCOBALT (II) ION
ChEMBL
DrugBankDB14205
ZINC
PDB chain6xbq Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6xbq Streptomyces coelicolor methylmalonyl-CoA epimerase in complex with carboxy-carba(dethia)-CoA
Resolution1.64 Å
Binding residue
(original residue number in PDB)		H7 Q60 H84 E134
Binding residue
(residue number reindexed from 1)		H7 Q60 H84 E134
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H7 E43 Q60 H84 E134
Catalytic site (residue number reindexed from 1) H7 E43 Q60 H84 E134
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004493 methylmalonyl-CoA epimerase activity
GO:0046872 metal ion binding
Biological Process
GO:0046491 L-methylmalonyl-CoA metabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:6xbq, PDBe:6xbq, PDBj:6xbq
PDBsum6xbq
PubMed
UniProtQ9L2C2

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