9S22

Crystal structure of human SIRT2 in complex with the covalent adduct of SirReal-triazole inhibitor LG023 and ADP-ribose

This is a non-PDB format compatible entry.

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	NAD-dependent protein deacetylase sirtuin-2	polymer	304	34416.7	1	UniProt (Q8IXJ6) Pfam (PF02146)	Homo sapiens (human)	Regulatory protein SIR2 homolog 2,SIR2-like protein 2
2	B (A)	ZINC ION	non-polymer		65.4	1	Chemie (ZN)
3	C (A)	[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{S})-5-[5-[[3-[[2-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoylamino]-1,3-thiazol-5-yl]methyl]phenoxy]methyl]-1,2,3-triazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate	non-polymer		1008.9	1	Chemie (A1JK2)
4	D (A)	water	water		18.0	126	Chemie (HOH)

Sequence modifications

A: 56 - 356 (UniProt: Q8IXJ6)

PDB	External Database	Details
Gly 53	-	expression tag
His 54	-	expression tag
Met 55	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	34416.7
Non-Polymers*	Number of molecules	2
	Total formula weight	1074.3
All*	Total formula weight	35491.0

*Water molecules are not included.