Structure of PDB 6eo0 Chain C Binding Site BS03

Receptor Information
>6eo0 Chain C (length=274) Species: 7955 (Danio rerio) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PFTKMTRPSSDLTAFREHFAKAKHIAIITGAGVSAESGVPTFRGPGGFWR
KWQAQDLATPEAFSRDPSLVWEFYHYRREVMRSKMPNPAHLAIAECEARL
GQQGRSVVIITQNIDELHHRAGSKHVYEIHGSLFKTRCMSCGEVKANHKS
PICPALDGKGAPDPNTKEARIPVELLPRCERKSCNGLLRPHVVWFGETLD
SDILTAVERELEKCDLCLVVGTSSIVYPAAMFAPQVASRGVPVAEFNMEC
TPATQRFKYHFEGPCGSTLPPALE
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 chain6eo0 Chain C Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6eo0 Mechanism-Based Inhibitors of the Human Sirtuin 5 Deacylase: Structure-Activity Relationship, Biostructural, and Kinetic Insight.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		C162 C165 C203 C208
Binding residue
(residue number reindexed from 1)		C138 C141 C179 C184
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) P40 T41 F42 R43 N113 D115 H130
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:6eo0, PDBe:6eo0, PDBj:6eo0
PDBsum6eo0
PubMed29044784
UniProtQ6DHI5|SIR5_DANRE NAD-dependent protein deacylase sirtuin-5, mitochondrial (Gene Name=sirt5)

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