Structure of PDB 5h4d Chain A Binding Site BS02

Receptor Information

>5h4d Chain A (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

5h4d Chain A Residue 401 [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	5h4d Crystal structure of hSIRT3 in complex with a specific agonist Amiodarone hydrochloride
Resolution	3.21 Å
Binding residue (original residue number in PDB)	C256 C259 C280 C283
Binding residue (residue number reindexed from 1)	C136 C139 C160 C163
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:5h4d, PDBe:5h4d, PDBj:5h4d
PDBsum	5h4d
PubMed
UniProt	Q9NTG7\|SIR3_HUMAN NAD-dependent protein deacetylase sirtuin-3, mitochondrial (Gene Name=SIRT3)

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