Structure of PDB 6wf6 Chain A Binding Site BS01

Receptor Information
>6wf6 Chain A (length=141) 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
DKGVRVLYDEPRRGSMGSRITFLHPKDCHGVLTELVTSAAV
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 chain6wf6 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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PDB6wf6 Substrate Enolate Intermediate and Mimic Captured in the Active Site of Streptomyces coelicolor Methylmalonyl-CoA Epimerase.
Resolution1.39 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:6wf6, PDBe:6wf6, PDBj:6wf6
PDBsum6wf6
PubMed34856049
UniProtQ9L2C2

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