4BVH

CRYSTAL STRUCTURE OF HUMAN SIRT3 IN COMPLEX WITH THE INHIBITOR EX-527 AND 2'-O-ACETYL-ADP-RIBOSE

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C (A, B, C)	NAD-DEPENDENT PROTEIN DEACETYLASE SIRTUIN-3, MITOCHONDRIAL	polymer	284	31484.2	3	UniProt (Q9NTG7) Pfam (PF02146)	HOMO SAPIENS (HUMAN)	HSIRT3, REGULATORY PROTEIN SIR2 HOMOLOG 3, SIR2-LIKE PROTEIN 3, SIRT3
2	D, I, O (A, B, C)	(1S)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1- carboxamide	non-polymer		248.7	3	Chemie (OCZ)
3	E, P (A, C)	2'-O-ACETYL ADENOSINE-5-DIPHOSPHORIBOSE	non-polymer		601.4	2	Chemie (OAD)
4	F, M, U (A, B, C)	ZINC ION	non-polymer		65.4	3	Chemie (ZN)
5	G (A)	SODIUM ION	non-polymer		23.0	1	Chemie (NA) PubChem (923)
6	H, N (A, B)	CHLORIDE ION	non-polymer		35.5	2	Chemie (CL) PubChem (312)
7	J (B)	[(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE	non-polymer		559.3	1	Chemie (AR6) PubChem (192) PubChem (25113622) PubChem (25113623) PubChem (44415180) PubChem (51051599) PubChem (44144391) PubChem (445794) PubChem (447048) PubChem (89379870) PubChem (33576) PubChem (447165) PubChem (448826) PubChem (91746164) PubChem (9548001) PubChem (9547960) PubChem (122606931) PubChem (122609061) PubChem (10437766) PubChem (174159053) PubChem (140853820) PubChem (146879505) PubChem (162774256) PubChem (162782217) PubChem (163972867) PubChem (173750345) PubChem (173750346) PubChem (175675949)
8	K, L, Q, S, T (B, C)	1,2-ETHANEDIOL	non-polymer		62.1	5	Chemie (EDO)
9	R (C)	GLYCEROL	non-polymer		92.1	1	Chemie (GOL) PubChem (753)
10	V, W, X (A, B, C)	water	water		18.0	488	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	94452.7
Non-Polymers*	Number of molecules	18
	Total formula weight	3200.7
All*	Total formula weight	97653.4

*Water molecules are not included.