Structure of PDB 6nr0 Chain B

Receptor sequence

>6nr0B (length=291) Species: 9606 (Homo sapiens)

RLLDELTLEGVARYMQSERCRRVICLVGAGISTSAGIPDFRSPSTGLYDN
LEKYHLPYPEAIFEISYFKKHPEPFFALAKELYPGQFKPTICHYFMRLLK
DKGLLLRCYTQNIDTLERIAGLEQEDLVEAHGTFYTSHCVSASCRHEYPL
SWMKEKIFSEVTPKCEDCQSLVKPDIVFFGESLPARFFSCMQSDFLKVDL
LLVMGTSLQVQPFASLISKAPLSTPRLLINKEKAGQSGLGGGMDFDSKKA
YRDVAWLGECDQGCLALAELLGWKKELEDLVRREHASIDAQ

3D structure

• PDB: 6nr0 A Glycoconjugated SIRT2 Inhibitor with Aqueous Solubility Allows Structure-Based Design of SIRT2 Inhibitors.
• Chain: B
• 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): P38 D39 F40 R41 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	B	C195 C200 C221	C139 C144 C165
BS02	KXJ	B	F119 F131 L138 H187 I232 V233 E237 Q267 P268	F63 F75 L82 H131 I176 V177 E181 Q211 P212
BS03	KXG	B	A85 G86 T89 D95 F96 R97 S98 Q167 H187 F235 G261 T262 S263 N286 K287 E288 E323 C324	A29 G30 T33 D39 F40 R41 S42 Q111 H131 F179 G205 T206 S207 N230 K231 E232 E259 C260

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)