Structure of PDB 6fkz Chain A Binding Site BS03

Receptor Information
>6fkz Chain A (length=264) Species: 7955 (Danio rerio) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DLTAFREHFAKAKHIAIITGAGVSAESGVPTFRGPGGFWRKWQAQDLATP
EAFSRDPSLVWEFYHYRREVMRSKMPNPAHLAIAECEARLGQQGRSVVII
TQNIDELHHRAGSKHVYEIHGSLFKTRCMSCGEVKANHKSPICPALDGKG
APDPNTKEARIPVELLPRCERKSCNGLLRPHVVWFGETLDSDILTAVERE
LEKCDLCLVVGTSSIVYPAAMFAPQVASRGVPVAEFNMECTPATQRFKYH
FEGPCGSTLPPALE
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 chain6fkz 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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PDB6fkz Potent and Selective Inhibitors of Human Sirtuin 5.
Resolution3.3 Å
Binding residue
(original residue number in PDB)		C162 C165 C203 C208
Binding residue
(residue number reindexed from 1)		C128 C131 C169 C174
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) P64 T65 F66 R67 N137 D139 H154
Catalytic site (residue number reindexed from 1) P30 T31 F32 R33 N103 D105 H120
Enzyme Commision number 2.3.1.-
Gene Ontology
Molecular Function
GO:0000035 acyl binding
GO:0008270 zinc ion binding
GO:0016740 transferase activity
GO:0017136 NAD-dependent histone deacetylase activity
GO:0034979 NAD-dependent protein lysine deacetylase activity
GO:0036054 protein-malonyllysine demalonylase activity
GO:0036055 protein-succinyllysine desuccinylase activity
GO:0046872 metal ion binding
GO:0061697 protein-glutaryllysine deglutarylase activity
GO:0070403 NAD+ binding
GO:1901363 heterocyclic compound binding
Biological Process
GO:0006338 chromatin remodeling
GO:0006476 protein deacetylation
GO:0010566 regulation of ketone biosynthetic process
GO:0036047 peptidyl-lysine demalonylation
GO:0036048 protein desuccinylation
GO:0036049 peptidyl-lysine desuccinylation
Cellular Component
GO:0005634 nucleus
GO:0005737 cytoplasm
GO:0005739 mitochondrion
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6fkz, PDBe:6fkz, PDBj:6fkz
PDBsum6fkz
PubMed29494161
UniProtQ6DHI5|SIR5_DANRE NAD-dependent protein deacylase sirtuin-5, mitochondrial (Gene Name=sirt5)

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