Structure of PDB 5yql Chain A

Receptor sequence
>5yqlA (length=296) Species: 9606 (Homo sapiens) [Search protein sequence]
GASGSERLLDELTLEGVARYMQSERCRRVICLVGAGISTSAGIPDFRSPS
TGLLEKYHLPYPEAIFEISYFKKHPEPFFALAKELYPGQFKPTICHYFMR
LLKDKGLLLRCYTQNIDTLERIAGLEQEDLVEAHGTFYTSHCVSASCRHE
YPLSWMKEKIFSEVTPKCEDCQSLVKPDIVFFGESLPARFFSCMQSDFLK
VDLLLVMGTSLQVQPFASLISKAPLSTPRLLINKEKAGQSDPFLGGMDFD
SKKAYRDVAWLGECDQGCLALAELLGWKKELEDLVRREHASIDAQS
3D structure
PDB5yql 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
Resolution1.601 Å
3D
structure
Catalytic site residues are labeled in the structure
[Spin on]
[Spin off]
[Reset orientation]

[High quality]
[Low quality]

[White background]
[Black background]

[Download]
[Download structure with residue number starting from 1]
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 N115 D117 H134
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 A2I A F96 F119 F131 A135 L138 Y139 P140 F143 D170 F190 I232 F234 F46 F66 F78 A82 L85 Y86 P87 F90 D117 F137 I179 F181 MOAD: ic50=25.9uM
PDBbind-CN: -logKd/Ki=4.59,IC50=25.9uM
BindingDB: IC50=26303nM
BS02 ZN A C195 C200 C221 C224 C142 C147 C168 C171
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:5yql, PDBe:5yql, PDBj:5yql
PDBsum5yql
PubMed29957526
UniProtQ8IXJ6|SIR2_HUMAN NAD-dependent protein deacetylase sirtuin-2 (Gene Name=SIRT2)

[Back to BioLiP]