Structure of PDB 5mar Chain A

Receptor sequence
>5marA (length=302) Species: 9606 (Homo sapiens) [Search protein sequence]
HMERLLDELTLEGVARYMQSERCRRVICLVGAGISTSAGIPDFRSPSTGL
YDNLEKYHLPYPEAIFEISYFKKHPEPFFALAKELYPGQFKPTICHYFMR
LLKDKGLLLRCYTQNIDTLERIAGLEQEDLVEAHGTFYTSHCVSASCRHE
YPLSWMKEKIFSEVTPKCEDCQSLVKPDIVFFGESLPARFFSCMQSDFLK
VDLLLVMGTSLQVQPFASLISKAPLSTPRLLINKEKAGQSDPFLGMIMGL
GGGMDFDSKKAYRDVAWLGECDQGCLALAELLGWKKELEDLVRREHASID
AQ
3D structure
PDB5mar Development of 1,2,4-Oxadiazoles as Potent and Selective Inhibitors of the Human Deacetylase Sirtuin 2: Structure-Activity Relationship, X-ray Crystal Structure, and Anticancer Activity.
ChainA
Resolution1.89 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) P41 D42 F43 R44 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 ZN A C195 C200 C221 C224 C142 C147 C168 C171
BS02 AR6 A G84 A85 G86 T89 D95 F96 R97 Y104 Q167 H187 F235 G261 T262 S263 V266 N286 K287 E288 E323 C324 G31 A32 G33 T36 D42 F43 R44 Y51 Q114 H134 F182 G208 T209 S210 V213 N233 K234 E235 E270 C271
BS03 7KE A F119 L134 L138 I169 I232 V233 F66 L81 L85 I116 I179 V180 MOAD: ic50=41.2uM
PDBbind-CN: -logKd/Ki=4.39,IC50=41.2uM
BindingDB: IC50=41200nM
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:5mar, PDBe:5mar, PDBj:5mar
PDBsum5mar
PubMed28240897
UniProtQ8IXJ6|SIR2_HUMAN NAD-dependent protein deacetylase sirtuin-2 (Gene Name=SIRT2)

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