Structure of PDB 7bot Chain A

Receptor sequence
>7botA (length=277) Species: 9606 (Homo sapiens) [Search protein sequence]
ERLLDELTLEGVARYMQSERCRRVICLVGAGISTSAGIPDFRSPYDNLEK
LPYPEAIFEISYFKKHPEPFFALAKELYPGQFKPTICHYFMRLLKDKGLL
LRCYTQNIDTLERIAGLEQEDLVEAHGTFYTSHCVSASCRHEYPLSWMKE
KIFSEVTPKCEDCLVKPDIVFFGESLPARFFSCMQSDFLKVDLLLVMGTS
LQVQPFASLISKAPLSTPRLLINKEKAGMDFDSKKAYRDVAWLGECDQGC
LALAELLGWKKELEDLVRREHASIDAQ
3D structure
PDB7bot Mechanism-based inhibitors of SIRT2: structure-activity relationship, X-ray structures, target engagement, regulation of alpha-tubulin acetylation and inhibition of breast cancer cell migration.
ChainA
Resolution1.7 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) P94 D95 F96 R97 N168 D170 H187
Catalytic site (residue number reindexed from 1) P39 D40 F41 R42 N107 D109 H126
Enzyme Commision number 2.3.1.-
2.3.1.286: protein acetyllysine N-acetyltransferase.
Interaction with ligand
Site
#		 Ligand Ligand
chain		 Binding residues on receptor
(original residue number in PDB)		 Binding residues on receptor
(residue number reindexed from 1)		 Binding affinity
BS01 peptide A H187 V233 F235 G236 E237 S238 L239 Q267 H126 V170 F172 G173 E174 S175 L176 Q204
BS02 ZN A C195 C200 C221 C224 C134 C139 C160 C163
BS03 F4R A F119 F131 H187 I232 F58 F70 H126 I169
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:7bot, PDBe:7bot, PDBj:7bot
PDBsum7bot
PubMed34458803
UniProtQ8IXJ6|SIR2_HUMAN NAD-dependent protein deacetylase sirtuin-2 (Gene Name=SIRT2)

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