Structure of PDB 6qh4 Chain B Binding Site BS01

Receptor Information
>6qh4 Chain B (length=131) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MLGRLNHVAIAVPDLEKAAAFYKNILGAQVSEAVPLPEHGVSVVFVNLGN
TKMELLHPLGLDSPIAGFLQKNKAGGMHHICIEVDNINAAVMDLKKKKIC
SLEVKIGAHGKPVIFLHPKDCGGVLVELEQA
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 chain6qh4 Chain B Residue 201 [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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PDB6qh4 Crystal structure of human Methylmalonyl-CoA epimerase (MCEE) p.Arg143Cys variant
Resolution1.922 Å
Binding residue
(original residue number in PDB)		H50 H122 E172
Binding residue
(residue number reindexed from 1)		H7 H79 E127
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H50 V86 E97 H122 E172
Catalytic site (residue number reindexed from 1) H7 V43 E54 H79 E127
Enzyme Commision number 5.1.99.1: methylmalonyl-CoA epimerase.
External links
PDB RCSB:6qh4, PDBe:6qh4, PDBj:6qh4
PDBsum6qh4
PubMed
UniProtQ96PE7|MCEE_HUMAN Methylmalonyl-CoA epimerase, mitochondrial (Gene Name=MCEE)

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