4O8Z

Crystal structure of human SIRT3 in complex with compound (2-butylbenzofuran-3-yl)(4-(2-(diethylamino)ethoxy)-3,5-diiodophenyl)methanone

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-3, mitochondrial	polymer	303	33913.8	1	UniProt (Q9NTG7) Pfam (PF02146)	Homo sapiens (human)	hSIRT3, Regulatory protein SIR2 homolog 3, SIR2-like protein 3
2	B (A)	ZINC ION	non-polymer		65.4	1	Chemie (ZN)
3	C (A)	(2-butyl-1-benzofuran-3-yl){4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl}methanone	non-polymer		645.3	1	Chemie (BBI)
4	D (A)	water	water		18.0	217	Chemie (HOH)

Sequence modifications

A: 116 - 399 (UniProt: Q9NTG7)

PDB	External Database	Details
His 97	-	expression tag
His 98	-	expression tag
His 99	-	expression tag
His 100	-	expression tag
His 101	-	expression tag
His 102	-	expression tag
Asp 103	-	expression tag
Tyr 104	-	expression tag
Asp 105	-	expression tag
Ile 106	-	expression tag
Pro 107	-	expression tag
Thr 108	-	expression tag
Thr 109	-	expression tag
Glu 110	-	expression tag
Asn 111	-	expression tag
Leu 112	-	expression tag
Tyr 113	-	expression tag
Phe 114	-	expression tag
Gln 115	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	33913.8
Non-Polymers*	Number of molecules	2
	Total formula weight	710.7
All*	Total formula weight	34624.5

*Water molecules are not included.