Structure of PDB 6xv6 Chain A Binding Site BS02

Receptor Information
>6xv6 Chain A (length=288) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NYAAGLSPYADKGKCGLPEIFDPPEELERKVWELARLVWQSSSVVFHTGA
GISTASGIPDFRGPHGVWTMEERGLAPKFDTTFESARPTQTHMALVQLER
VGLLRFLVSQNVDGLHVRSGFPRDKLAELHGNMFVEECAKCKTQYVRDTV
VGTMGLKATGRLCTVACRGELRDTILDWEDSLPDRDLALADEASRNADLS
ITLGTSLQIRPSGNLPLATKRRGGRLVIVNLQPTKHDRHADLRIHGYVDE
VMTRLMKHLGLEIPAWDGPRVLERALPPLPRPPTPKLE
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 chain6xv6 Chain A Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6xv6 Binding site for activator MDL-801 on SIRT6.
Resolution1.75 Å
Binding residue
(original residue number in PDB)		C141 C144 C166 C177
Binding residue
(residue number reindexed from 1)		C138 C141 C163 C167
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) P62 D63 F64 R65 N114 D116 H133
Catalytic site (residue number reindexed from 1) P59 D60 F61 R62 N111 D113 H130
Enzyme Commision number 2.3.1.-
2.3.1.286: protein acetyllysine N-acetyltransferase.
2.4.2.-
Gene Ontology

View graph for
Molecular Function
External links
PDB RCSB:6xv6, PDBe:6xv6, PDBj:6xv6
PDBsum6xv6
PubMed33649599
UniProtQ8N6T7|SIR6_HUMAN NAD-dependent protein deacylase sirtuin-6 (Gene Name=SIRT6)

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