Structure of PDB 4zzj Chain A

Receptor sequence

>4zzjA (length=344) Species: 9606 (Homo sapiens)

GPYTFVQQHLMIGTDPRTILKDLLPETIPPPELDDMTLWQIVINILSEPP
KRKKRKDINTIEDAVKLLQECKKIIVLTGAGVSVSCGIPDFRSRDGIYAR
LAVDFPDLPDPQAMFDIEYFRKDPRPFFKFAKEIYPGQFQPSLCHKFIAL
SDKEGKLLRNYTQNIDTLEQVAGIQRIIQCHGSFATASCLICKYKVDCEA
VRGDIFNQVVPRCPRCPADEPLAIMKPEIVFFGENLPEQFHRAMKYDKDE
VDLLIVIGSSLKVRPVALIPSSIPHEVPQILINREPLPHLHFDVELLGDC
DVIINELCHRLGGEYAKLCCNGGSQYLFLPPNRYIFHGAEVYSD

3D structure

• PDB: 4zzj Crystallographic structure of a small molecule SIRT1 activator-enzyme complex.
• Chain: A
• Resolution: 2.7403 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): P271 D272 F273 R274 N346 D348 H363
• Catalytic site (residue number reindexed from 1): P89 D90 F91 R92 N164 D166 H181
• 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	Q294 F297 H363 V412 F414 G415 E416 N417 K444 V445 R446 P447	Q112 F115 H181 V230 F232 G233 E234 N235 K262 V263 R264 P265
BS02	ZN	A	C371 C374 C395 C398	C189 C192 C213 C216
BS03	CNA	A	G261 A262 G263 P271 D272 F273 R274 F297 I316 N346 G440 S441 S442 N465 R466 E467 D481 C482	G79 A80 G81 P89 D90 F91 R92 F115 I134 N164 G258 S259 S260 N283 R284 E285 D299 C300
BS04	4TQ	A	P211 T219 Q222 I223 N226 I227 E230	P29 T37 Q40 I41 N44 I45 E48

Gene Ontology

Molecular Function

• GO:0070403 NAD+ binding

External links

• PDB: RCSB:4zzj, PDBe:4zzj, PDBj:4zzj
• PDBsum: 4zzj
• PubMed: 26134520
• UniProt: Q96EB6|SIR1_HUMAN NAD-dependent protein deacetylase sirtuin-1 (Gene Name=SIRT1)