Structure of PDB 5x16 Chain A Binding Site BS02

Receptor Information
>5x16 Chain A (length=293) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AGLSPYADKGKCGLPEIFDPPEELERKVWELARLVWQSSSVVFHTGAGIS
TASGIPDFRGPHGVWTMEERGLAPKFDTTFESARPTQTHMALVQLERVGL
LRFLVSQNVDGLHVRSGFPRDKLAELHGNMFVEECAKCKTQYVRDTVVGT
MGLKATGRLCTVAKARGLRACRGELRDTILDWEDSLPDRDLALADEASRN
ADLSITLGTSLQIRPSGNLPLATKRRGGRLVIVNLQPTKHDRHADLRIHG
YVDEVMTRLMKHLGLEIPAWDGPRVLERALPPLPRPPTPKLEP
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 chain5x16 Chain A Residue 402 [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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PDB5x16 Sirt6 apo structure
Resolution1.97 Å
Binding residue
(original residue number in PDB)		C139 C142 C164 C175
Binding residue
(residue number reindexed from 1)		C135 C138 C160 C171
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) P60 D61 F62 R63 N112 D114 H131
Catalytic site (residue number reindexed from 1) P56 D57 F58 R59 N108 D110 H127
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:5x16, PDBe:5x16, PDBj:5x16
PDBsum5x16
PubMed
UniProtQ8N6T7|SIR6_HUMAN NAD-dependent protein deacylase sirtuin-6 (Gene Name=SIRT6)

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