Structure of PDB 4bvh Chain B Binding Site BS03

Receptor Information

>4bvh Chain B (length=271) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

GKLSLQDVAELIRARACQRVVVMVGAGISTPSGIPDFRSPGSGLYSNLQQ
YDLPYPEAIFELPFFFHNPKPFFTLAKELYPGNYKPNVTHYFLRLLHDKG
LLLRLYTQNIDGLERVSGIPASKLVEAHGTFASATCTVCQRPFPGEDIRA
DVMADRVPRCPVCTGVVKPDIVFFGEPLPQRFLLHVVDFPMADLLLILGT
SLEVEPFASLTEAVRSSVPRLLINRDLVGPLAWHPRSRDVAQLGDVVHGV
ESLVELLGWTEEMRDLVQRET

Ligand information

Ligand ID

InChI

InChI=1S/Zn/q+2

InChIKey

PTFCDOFLOPIGGS-UHFFFAOYSA-N

SMILES

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

Formula

Name

ZINC ION

PDB chain

4bvh Chain B Residue 1396 [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	4bvh Ex-527 Inhibits Sirtuins by Exploiting Their Unique Nad+-Dependent Deacetylation Mechanism
Resolution	1.9 Å
Binding residue (original residue number in PDB)	C256 C259 C280
Binding residue (residue number reindexed from 1)	C136 C139 C160
Annotation score	1

Enzymatic activity

Catalytic site (original residue number in PDB)	P155 D156 F157 R158 N229 D231 H248
Catalytic site (residue number reindexed from 1)	P35 D36 F37 R38 N109 D111 H128
Enzyme Commision number	2.3.1.286: protein acetyllysine N-acetyltransferase.

Gene Ontology

	Molecular Function
GO:0017136	NAD-dependent histone deacetylase activity
GO:0051287	NAD binding
GO:0070403	NAD+ binding

View graph for
Molecular Function

External links

PDB	RCSB:4bvh, PDBe:4bvh, PDBj:4bvh
PDBsum	4bvh
PubMed	23840057
UniProt	Q9NTG7\|SIR3_HUMAN NAD-dependent protein deacetylase sirtuin-3, mitochondrial (Gene Name=SIRT3)

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