Structure of PDB 3rig Chain A Binding Site BS02

Receptor Information
>3rig Chain A (length=260) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SFTARPSSSMADFRKFFAKAKHIVIISGAGVGGYWRKWQAQDLATPLAFA
HNPSRVWEFYHYRREVMGSKEPNAGHRAIAECETRLGKQGRRVVVITQNI
DELHRKAGTKNLLEIHGSLFKTRCTSCGVVAENYKSPICPALSGKGAPEP
GTQDASIPVEKLPRCEEAGCGGLLRPHVVWFGENLDPAILEEVDRELAHC
DLCLVVGTSSVVYPAAMFAPQVAARGVPVAEFNTETTPATNRFRFHFQGP
CGTTLPEALA
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain3rig Chain A Residue 1001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB3rig Sirt5 is a NAD-dependent protein lysine demalonylase and desuccinylase
Resolution2.0 Å
Binding residue
(original residue number in PDB)		C166 C169 C207
Binding residue
(residue number reindexed from 1)		C124 C127 C165
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) N141 D143 H158
Catalytic site (residue number reindexed from 1) N99 D101 H116
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:3rig, PDBe:3rig, PDBj:3rig
PDBsum3rig
PubMed22076378
UniProtQ9NXA8|SIR5_HUMAN NAD-dependent protein deacylase sirtuin-5, mitochondrial (Gene Name=SIRT5)

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