Structure of PDB 2nyr Chain B Binding Site BS02

Receptor Information

>2nyr Chain B (length=258) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

PSSSMADFRKFFAKAKHIVIISGAGVSAESGVPTFRGAGGYWRKWQAQDL
ATPLAFAHNPSRVWEFYHYRREVMGSKEPNAGHRAIAECETRLGKQGRRV
VVITQNIDELHRKAGTKNLLEIHGSLFKTRCTSCGVVAENYKSPICPALS
GKGAPEPGTQDASIPVEKLPRCEEAGCGGLLRPHVVWFGENLDPAILEEV
DRELAHCDLCLVVGTSSVVYPAAMFAPQVAARGVPVAEFNTRFHFQGPCG
TTLPEALA

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

2nyr Chain B 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	2nyr Structural basis of inhibition of the human NAD+-dependent deacetylase SIRT5 by suramin.
Resolution	2.06 Å
Binding residue (original residue number in PDB)	C166 C169 C207 C212
Binding residue (residue number reindexed from 1)	C131 C134 C172 C177
Annotation score	1

Enzymatic activity

Catalytic site (original residue number in PDB)	P68 T69 F70 R71 N141 D143 H158
Catalytic site (residue number reindexed from 1)	P33 T34 F35 R36 N106 D108 H123
Enzyme Commision number	2.3.1.-

Gene Ontology

	Molecular Function
GO:0036054	protein-malonyllysine demalonylase activity
GO:0036055	protein-succinyllysine desuccinylase activity
GO:0070403	NAD+ binding

View graph for
Molecular Function

External links

PDB	RCSB:2nyr, PDBe:2nyr, PDBj:2nyr
PDBsum	2nyr
PubMed	17355872
UniProt	Q9NXA8\|SIR5_HUMAN NAD-dependent protein deacylase sirtuin-5, mitochondrial (Gene Name=SIRT5)

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