Structure of PDB 6nr0 Chain A

Receptor sequence

>6nr0A (length=289) Species: 9606 (Homo sapiens)

ERLLDELTLEGVARYMQSERCRRVICLVGAGISTSAGIPDFRSPSTGLYD
NLEKYHLPYPEAIFEISYFKKHPEPFFALAKELYPGQFKPTICHYFMRLL
KDKGLLLRCYTQNIDTLERIAGLEQEDLVEAHGTFYTSHCVSASCRHEYP
LSWMKEKIFSEVTPKCEDCQSLVKPDIVFFGESLPARFFSCMQSDFLKVD
LLLVMGTSLQVQPFASLISKAPLSTPRLLINKEKAGQGGGMDFDSKKAYR
DVAWLGECDQGCLALAELLGWKKELEDLVRREHASIDAQ

3D structure

• PDB: 6nr0 A Glycoconjugated SIRT2 Inhibitor with Aqueous Solubility Allows Structure-Based Design of SIRT2 Inhibitors.
• Chain: A
• Resolution: 2.45 Å

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 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	KXJ	A	F119 P140 I169 H187 V233 F234 F235 E237 L239 Q267	F64 P85 I114 H132 V178 F179 F180 E182 L184 Q212
BS03	KXG	A	G84 G86 D95 F96 R97 Q167 H187 F235 G261 T262 S263 N286 K287 E288 E323 C324	G29 G31 D40 F41 R42 Q112 H132 F180 G206 T207 S208 N231 K232 E233 E257 C258

Gene Ontology

Molecular Function

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

External links

• PDB: RCSB:6nr0, PDBe:6nr0, PDBj:6nr0
• PDBsum: 6nr0
• PubMed: 31373792
• UniProt: Q8IXJ6|SIR2_HUMAN NAD-dependent protein deacetylase sirtuin-2 (Gene Name=SIRT2)