Structure of PDB 7m66 Chain A Binding Site BS01

Receptor Information
>7m66 Chain A (length=360) Species: 1351 (Enterococcus faecalis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NSRFYQMSPEERLASLLNEGQISADTKKEFENTALSSQIANHMIENQISE
TEVPMGVGLHLTVDETDYLVPMATEEPSVIAALSNGAKIAQGFKTVNQQR
LMRGQIVFYDVADPESLIDKLQVREAEIFQQAELSYPSIVKRGGGLRDLQ
YRAFDESFVSVDFLVDVKDAMGANIVNAMLEGVAELFREWFAEQKILFSI
LSNYATESVVTMKTAIPVSRLSKGSNGREIAEKIVLASRYASLDPYRAVT
HNKGIMNGIEAVVLATGNDTRAVSASCHAFAVKEGRYQGLTSWTLDGEQL
IGEISVPLALATVGGATKVLPKSQAAADLLAVTDAKELSRVVAAVGLAQN
LAALRALVSE
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain7m66 Chain A Residue 506 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7m66 Targeting Enterococcus faecalis HMG-CoA reductase with a non-statin inhibitor.
Resolution2.25 Å
Binding residue
(original residue number in PDB)		T343 E347
Binding residue
(residue number reindexed from 1)		T333 E337
Annotation score1
Enzymatic activity
Enzyme Commision number 2.3.1.9: acetyl-CoA C-acetyltransferase.
Gene Ontology
Molecular Function
GO:0004420 hydroxymethylglutaryl-CoA reductase (NADPH) activity
GO:0016616 oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
Biological Process
GO:0015936 coenzyme A metabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:7m66, PDBe:7m66, PDBj:7m66
PDBsum7m66
PubMed37012403
UniProtA0A4U3MLJ4

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