5MAR

Structure of human SIRT2 in complex with 1,2,4-Oxadiazole inhibitor and 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 (A, B)	NAD-dependent protein deacetylase sirtuin-2	polymer	303	34359.7	2	UniProt (Q8IXJ6) Pfam (PF02146)	Homo sapiens (Human)	Regulatory protein SIR2 homolog 2,SIR2-like protein 2
2	C, O (A, B)	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
3	D, P (A, 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	2	Chemie (AR6) PubChem (192) PubChem (25113622) PubChem (25113623) PubChem (445794) PubChem (44415180) PubChem (447048) PubChem (44144391) PubChem (51051599) PubChem (33576) PubChem (89379870) PubChem (91746164) PubChem (447165) PubChem (448826) PubChem (10437766) PubChem (9548001) PubChem (9547960) PubChem (122606931) PubChem (122609061) PubChem (140853820) PubChem (146879505) PubChem (162774256) PubChem (162782217) PubChem (174159053) PubChem (163972867) PubChem (173750345) PubChem (173750346) PubChem (175675949)
4	E, Q (A, B)	3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-ol	non-polymer		238.7	2	Chemie (7KE) PubChem (79200268)
5	F, G (A)	1,2-ETHANEDIOL	non-polymer		62.1	2	Chemie (EDO)
6	H, I, J, K, L... (A, B)	DIMETHYL SULFOXIDE	non-polymer		78.1	9	Chemie (DMS) PubChem (679)
7	M, N, W, X (A, B)	GLYCEROL	non-polymer		92.1	4	Chemie (GOL) PubChem (753)
8	R (B)	ACETATE ION	non-polymer		59.0	1	Chemie (ACT) PubChem (175)
9	Y, Z (A, B)	water	water		18.0	473	Chemie (HOH)

Sequence modifications

A, B: 56 - 356 (UniProt: Q8IXJ6)

PDB	External Database	Details
His 54	-	expression tag
Met 55	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	68719.4
Non-Polymers*	Number of molecules	22
	Total formula weight	2981.5
All*	Total formula weight	71700.9

*Water molecules are not included.