Structure of PDB 5mat Chain A

Receptor sequence
>5matA (length=300) Species: 9606 (Homo sapiens) [Search protein sequence]
MERLLDELTLEGVARYMQSERCRRVICLVGAGISTSAGIPDFRSTGLYDN
LEKYHLPYPEAIFEISYFKKHPEPFFALAKELYPGQFKPTICHYFMRLLK
DKGLLLRCYTQNIDTLERIAGLEQEDLVEAHGTFYTSHCVSASCRHEYPL
SWMKEKIFSEVTPKCEDCQSLVKPDIVFFGESLPARFFSCMQSDFLKVDL
LLVMGTSLQVQPFASLISKAPLSTPRLLINKEKAGQSDPFLGMIMGLGGG
MDFDSKKAYRDVAWLGECDQGCLALAELLGWKKELEDLVRREHASIDAQS
3D structure
PDB5mat Thienopyrimidinone Based Sirtuin-2 (SIRT2)-Selective Inhibitors Bind in the Ligand Induced Selectivity Pocket.
ChainA
Resolution2.069 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) P40 D41 F42 R43 N112 D114 H131
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 C139 C144 C165 C168
BS02 7KJ A I93 P94 F96 F119 A135 L138 Y139 F143 I169 F190 F235 I39 P40 F42 F63 A79 L82 Y83 F87 I113 F134 F179 MOAD: ic50=0.58uM
PDBbind-CN: -logKd/Ki=6.24,IC50=0.58uM
BindingDB: IC50=580nM
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:5mat, PDBe:5mat, PDBj:5mat
PDBsum5mat
PubMed28135086
UniProtQ8IXJ6|SIR2_HUMAN NAD-dependent protein deacetylase sirtuin-2 (Gene Name=SIRT2)

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