Structure of PDB 7bos Chain A

Receptor sequence
>7bosA (length=281) Species: 9606 (Homo sapiens) [Search protein sequence]
ERLLDELTLEGVARYMQSERCRRVICLVGAGISTSAGIPDFRSPYDNLEK
YHLPYPEAIFEISYFKKHPEPFFALAKELYPGQFKPTICHYFMRLLKDKG
LLLRCYTQNIDTLERIAGLEQEDLVEAHGTFYTSHCVSASCRHEYPLSWM
KEKIFSEVTPKCEDCQSLVKPDIVFFGESLPARFFSCMQSDFLKVDLLLV
MGTSLQVQPFASLISKAPLSTPRLLINKEKAGMDFDSKKAYRDVAWLGEC
DQGCLALAELLGWKKELEDLVRREHASIDAQ
3D structure
PDB7bos 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 N109 D111 H128
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 E116 H187 V233 F235 G236 E237 Q265 V266 Q267 E57 H128 V174 F176 G177 E178 Q206 V207 Q208
BS02 ZN A C195 C200 C221 C224 C136 C141 C162 C165
BS03 F4R A F119 F131 H187 I232 V233 F60 F72 H128 I173 V174
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:7bos, PDBe:7bos, PDBj:7bos
PDBsum7bos
PubMed34458803
UniProtQ8IXJ6|SIR2_HUMAN NAD-dependent protein deacetylase sirtuin-2 (Gene Name=SIRT2)

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