Structure of PDB 6enx Chain A Binding Site BS01

Receptor Information
>6enx Chain A (length=267) Species: 7955 (Danio rerio) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PSSDLTAFREHFAKAKHIAIITGAGVSAESGVPTFRGPGGFWRKWQAQDL
ATPEAFSRDPSLVWEFYHYRREVMRSKMPNPAHLAIAECEARLGQQGRSV
VIITQNIDELHHRAGSKHVYEIHGSLFKTRCMSCGEVKANHKSPICPALD
GKGAPDPNTKEARIPVELLPRCERKSCNGLLRPHVVWFGETLDSDILTAV
ERELEKCDLCLVVGTSSIVYPAAMFAPQVASRGVPVAEFNMECTPATQRF
KYHFEGPCGSTLPPALE
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 chain6enx Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6enx Mechanism-Based Inhibitors of the Human Sirtuin 5 Deacylase: Structure-Activity Relationship, Biostructural, and Kinetic Insight.
Resolution1.95 Å
Binding residue
(original residue number in PDB)		C162 C165 C203 C208
Binding residue
(residue number reindexed from 1)		C131 C134 C172 C177
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) 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:6enx, PDBe:6enx, PDBj:6enx
PDBsum6enx
PubMed29044784
UniProtQ6DHI5|SIR5_DANRE NAD-dependent protein deacylase sirtuin-5, mitochondrial (Gene Name=sirt5)

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