Structure of PDB 4y6o Chain A Binding Site BS02

Receptor Information

>4y6o Chain A (length=277) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

RLLDELTLEGVARYMQSERCRRVICLVGAGISTSAGIPDFRNLEKYHLPY
PEAIFEISYFKKHPEPFFALAKELYPGQFKPTICHYFMRLLKDKGLLLRC
YTQNIDTLERIAGLEQEDLVEAHGTFYTSHCVSASCRHEYPLSWMKEKIF
SEVTPKCEDCQSLVKPDIVFFGESLPARFFSCMQSDFLKVDLLLVMGTSL
QVQPFASLISKAPLSTPRLLINKEKGGGMDFDSKKAYRDVAWLGECDQGC
LALAELLGWKKELEDLVRREHASIDAQ

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

4y6o Chain A Residue 501 [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	4y6o Kinetic and Structural Basis for Acyl-Group Selectivity and NAD(+) Dependence in Sirtuin-Catalyzed Deacylation.
Resolution	1.6 Å
Binding residue (original residue number in PDB)	C195 C200 C221 C224
Binding residue (residue number reindexed from 1)	C131 C136 C157 C160
Annotation score	1

Enzymatic activity

Catalytic site (original residue number in PDB)	P94 D95 F96 R97 N168 D170 H187
Catalytic site (residue number reindexed from 1)	P38 D39 F40 R41 N104 D106 H123
Enzyme Commision number	2.3.1.- 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:4y6o, PDBe:4y6o, PDBj:4y6o
PDBsum	4y6o
PubMed	25897714
UniProt	Q8IXJ6\|SIR2_HUMAN NAD-dependent protein deacetylase sirtuin-2 (Gene Name=SIRT2)

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