4ZZI

SIRT1/Activator/Inhibitor Complex

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	NAD-dependent protein deacetylase sirtuin-1	polymer	356	40125.3	1	UniProt (Q96EB6) Pfam (PF02146) In PDB	Homo sapiens (Human)	hSIRT1,Regulatory protein SIR2 homolog 1,SIR2-like protein 1,hSIR2
2	A	(3S)-1,3-dimethyl-N-[3-(1,3-oxazol-5-yl)phenyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazine-4(1H)-carboxamide	non-polymer		493.5	1	Chemie (4TQ)
3	A	4-(4-{2-[(methylsulfonyl)amino]ethyl}piperidin-1-yl)thieno[3,2-d]pyrimidine-6-carboxamide	non-polymer		383.5	1	Chemie (1NS)
4	A	ZINC ION	non-polymer		65.4	1	Chemie (ZN)
5		water	water		18.0	26	Chemie (HOH)

Sequence modifications

A: 183 - 632 (UniProt: Q96EB6)

PDB	External Database	Details
Gly 633	-	expression tag
Gly 634	-	expression tag
Gly 635	-	expression tag
Ser 636	-	expression tag
Gly 637	-	expression tag
Gly 638	-	expression tag
Gly 639	-	expression tag
Ser 640	-	expression tag
Gln 641	-	expression tag
Tyr 642	-	expression tag
Leu 643	-	expression tag
Phe 644	-	expression tag
Leu 645	-	expression tag
Pro 646	-	expression tag
Pro 647	-	expression tag
Asn 648	-	expression tag
Arg 649	-	expression tag
Tyr 650	-	expression tag
Ile 651	-	expression tag
Phe 652	-	expression tag
His 653	-	expression tag
Gly 654	-	expression tag
Ala 655	-	expression tag
Glu 656	-	expression tag
Val 657	-	expression tag
Tyr 658	-	expression tag
Ser 659	-	expression tag
Asp 660	-	expression tag
Ser 661	-	expression tag
Glu 662	-	expression tag
Asp 663	-	expression tag
Asp 664	-	expression tag
Val 665	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	40125.3
Non-Polymers*	Number of molecules	3
	Total formula weight	942.4
All*	Total formula weight	41067.6

*Water molecules are not included.