Structure of PDB 5dy4 Chain A

Receptor sequence

>5dy4A (length=301) Species: 9606 (Homo sapiens)

GHMERLLDELTLEGVARYMQSERCRRVICLVGAGISTSAGIPDFRSGLYD
NLEKYHLPYPEAIFEISYFKKHPEPFFALAKELYPGQFKPTICHYFMRLL
KDKGLLLRCYTQNIDTLERIAGLEQEDLVEAHGTFYTSHCVSASCRHEYP
LSWMKEKIFSEVTPKCEDCQSLVKPDIVFFGESLPARFFSCMQSDFLKVD
LLLVMGTSLQVQPFASLISKAPLSTPRLLINKEKAGQSDPFLGMIMGLGG
GMDFDSKKAYRDVAWLGECDQGCLALAELLGWKKELEDLVRREHASIDAQ
S

3D structure

• PDB: 5dy4 Aminothiazoles as Potent and Selective Sirt2 Inhibitors: A Structure-Activity Relationship Study.
• Chain: A
• Resolution: 1.77 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): P94 D95 F96 R97 N168 D170 H187
• Catalytic site (residue number reindexed from 1): P42 D43 F44 R45 N113 D115 H132
• 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	C140 C145 C166 C169
BS02	5GN	A	F96 F119 F131 L138 Y139 P140 F143 I169 D170 F190 I232 V233 F234	F44 F64 F76 L83 Y84 P85 F88 I114 D115 F135 I177 V178 F179	MOAD: ic50=0.21uM BindingDB: IC50=210nM
BS03	NAD	A	G84 G86 T89 P94 D95 F96 R97 Q167 N168 I169 D170 H187 G261 T262 S263 N286 K287 E288 E323 C324	G32 G34 T37 P42 D43 F44 R45 Q112 N113 I114 D115 H132 G206 T207 S208 N231 K232 E233 E268 C269

Gene Ontology

Molecular Function

• GO:0017136 NAD-dependent histone deacetylase activity
• GO:0051287 NAD binding
• GO:0070403 NAD+ binding

External links

• PDB: RCSB:5dy4, PDBe:5dy4, PDBj:5dy4
• PDBsum: 5dy4
• PubMed: 26696402
• UniProt: Q8IXJ6|SIR2_HUMAN NAD-dependent protein deacetylase sirtuin-2 (Gene Name=SIRT2)