Structure of PDB 5yqo Chain A

Receptor sequence
>5yqoA (length=288) Species: 9606 (Homo sapiens) [Search protein sequence]
GASGSERLLDELTLEGVARYMQSERCRRVICLVGAGISTSAGIPDFRSPS
TPYPEAIFEISYFKKHPEPFFALAKELYPGQFKPTICHYFMRLLKDKGLL
LRCYTQNIDTLERIAGLEQEDLVEAHGTFYTSHCVSASCRHEYPLSWMKE
KIFSEVTPKCEDCQSLVKPDIVFFGESLPARFFSCMQSDFLKVDLLLVMG
TSLQVQPFASLISKAPLSTPRLLINKEKAGQSDPFLGGMDFDSKKAYRDV
AWLGECDQGCLALAELLGWKKELEDLVRREHASIDAQS
3D structure
PDB5yqo X-ray crystal structure guided discovery of new selective, substrate-mimicking sirtuin 2 inhibitors that exhibit activities against non-small cell lung cancer cells.
ChainA
Resolution1.483 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) P44 D45 F46 R47 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 ZN A C195 C200 C221 C224 C134 C139 C160 C163
BS02 L5C A F96 R97 F119 A135 Y139 P140 F143 I169 D170 H187 F190 V233 F235 F46 R47 F58 A74 Y78 P79 F82 I108 D109 H126 F129 V172 F174 MOAD: ic50=0.815uM
PDBbind-CN: -logKd/Ki=6.09,IC50=0.815uM
BindingDB: IC50=813nM
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:5yqo, PDBe:5yqo, PDBj:5yqo
PDBsum5yqo
PubMed29957526
UniProtQ8IXJ6|SIR2_HUMAN NAD-dependent protein deacetylase sirtuin-2 (Gene Name=SIRT2)

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