Structure of PDB 4rmi Chain A

Receptor sequence
>4rmiA (length=278) Species: 9606 (Homo sapiens) [Search protein sequence]
ERLLDELTLEGVARYMQSERCRRVICLVGAGISTSAGIPDFRSPSTGFEI
SYFKKHPEPFFALAKELYPGQFKPTICHYFMRLLKDKGLLLRCYTQNIDT
LERIAGLEQEDLVEAHGTFYTSHCVSASCRHEYPLSWMKEKIFSEVTPKC
EDCQSLVKPDIVFFGESLPARFFSCMQSDFLKVDLLLVMGTSLQVQPFAS
LISKAPLSTPRLLINKEKAGQSDPFLGGGMDFDSKKAYRDVAWLGECDQG
CLALAELLGWKKELEDLVRREHASIDAQ
3D structure
PDB4rmi Selective Sirt2 inhibition by ligand-induced rearrangement of the active site.
ChainA
Resolution1.45 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) P39 D40 F41 R42 N97 D99 H116
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 peptide A R97 H187 V233 F235 G236 E237 S238 L239 V266 Q267 R42 H116 V162 F164 G165 E166 S167 L168 V195 Q196
BS02 ZN A C195 C200 C221 C224 C124 C129 C150 C153
BS03 3TK A F96 F119 F131 A135 Y139 P140 F143 D170 F190 I232 F41 F48 F60 A64 Y68 P69 F72 D99 F119 I161 BindingDB: IC50=3750nM
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:4rmi, PDBe:4rmi, PDBj:4rmi
PDBsum4rmi
PubMed25672491
UniProtQ8IXJ6|SIR2_HUMAN NAD-dependent protein deacetylase sirtuin-2 (Gene Name=SIRT2)

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