Structure of PDB 6l66 Chain A Binding Site BS04

Receptor Information
>6l66 Chain A (length=298) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GSQKERLLDELTLEGVARYMQSQRCRRVICLVGAGISTSAGIPDFRSPST
GLYDNLEKYHLPYPEAIFEISYFKKHPEPFFALAKELYPGQFKPTICHYF
MRLLKDKGLLLRCYTQNIDTLERIAGLEQEDLVEAHGTFYTSHCVSASCR
HEYPLSWMKEKIFSEVTPKCEDCQSLVKPDIVFFGESLPARFFSCMQSDF
LKVDLLLVMGTSLQVQPFASLISKAPLSTPRLLINKEKAGQSDPFLGGGM
DFDSKKAYRDVAWLGECDQGCLALAELLGWKKELEDLVRREHASIDAQ
Ligand information
Ligand ID3LX
InChIInChI=1S/C13H26S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h13H,2-12H2,1H3
InChIKeyOPHBCQJSGYOCBI-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 1.7.6		CCCCCCCCCCCCC=S
ACDLabs 12.01S=CCCCCCCCCCCCC
FormulaC13 H26 S
Nametridecanethial
ChEMBL
DrugBank
ZINCZINC000113266014
PDB chain6l66 Chain C Residue 101 [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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PDB6l66 Sirtuin 2 protein with H3K18 myristoylated peptide
Resolution2.169 Å
Binding residue
(original residue number in PDB)		I169 F190 V233 F235
Binding residue
(residue number reindexed from 1)		I118 F139 V182 F184
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) P94 D95 F96 R97 N168 D170 H187
Catalytic site (residue number reindexed from 1) P43 D44 F45 R46 N117 D119 H136
Enzyme Commision number 2.3.1.-
2.3.1.286: protein acetyllysine N-acetyltransferase.
Gene Ontology
Molecular Function
GO:0017136 NAD-dependent histone deacetylase activity
GO:0051287 NAD binding
GO:0070403 NAD+ binding

View graph for
Molecular Function
External links
PDB RCSB:6l66, PDBe:6l66, PDBj:6l66
PDBsum6l66
PubMed
UniProtQ8IXJ6|SIR2_HUMAN NAD-dependent protein deacetylase sirtuin-2 (Gene Name=SIRT2)

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