Structure of PDB 7m1z Chain C Binding Site BS06

Receptor Information

>7m1z Chain C (length=422) Species: 1351 (Enterococcus faecalis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

HMLLERPQQKKNSRFYQMSPEERLASLLNEGQISADTKKEFENTALSSQI
ANHMIENQISETEVPMGVGLHLTVDETDYLVPMATEEPSVIAALSNGAKI
AQGFKTVNQQRLMRGQIVFYDVADPESLIDKLQVREAEIFQQAELSYPSI
VKRGGGLRDLQYRAFDESFVSVDFLVDVKDAMGANIVNAMLEGVAELFRE
WFAEQKILFSILSNYATESVVTMKTAIPVSRLSKGSNGREIAEKIVLASR
YASLDPYRAVTHNKGIMNGIEAVVLATGNDTRAVSASCHAFAVKEGRYQG
LTSWTLDGEQLIGEISVPLALATVGGATKVLPKSQAAADLLAVTDAKELS
RVVAAVGLAQNLAALRALVSEGIQKGHMALQARSLAMTVGATGKEVEAVA
QQLKRQKTMNQDRALAILNDLR

Ligand information

Ligand ID

InChI

InChI=1S/Ca/q+2

InChIKey

BHPQYMZQTOCNFJ-UHFFFAOYSA-N

SMILES

Software	SMILES
CACTVS 3.341	[Ca++]
ACDLabs 10.04 OpenEye OEToolkits 1.5.0	[Ca+2]

Formula

Name

CALCIUM ION

PDB chain

7m1z Chain D Residue 503 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	7m1z Targeting Enterococcus faecalis HMG-CoA reductase with a non-statin inhibitor
Resolution	2.27 Å
Binding residue (original residue number in PDB)	Q31 I32
Binding residue (residue number reindexed from 1)	Q32 I33
Annotation score	1

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:7m1z, PDBe:7m1z, PDBj:7m1z
PDBsum	7m1z
PubMed
UniProt	Q835L3

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