2OD2

Crystal Structure of yHst2 I117F mutant bound to carba-NAD+ and an acetylated H4 peptide

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 deacetylase HST2	polymer	308	34828.8	1	UniProt (P53686) Pfam (PF02146)	Saccharomyces cerevisiae (baker's yeast)	Homologous to SIR2 protein 2
2	B (B)	Acetylated H4 peptide	polymer	14	1610.9	1
3	C (A)	ZINC ION	non-polymer		65.4	1	Chemie (ZN)
4	D (A)	CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE	non-polymer		662.5	1	Chemie (CNA)
5	E, F, G, H (A)	GLYCEROL	non-polymer		92.1	4	Chemie (GOL)
6	I, J (A, B)	water	water		18.0	166	Chemie (HOH)

Sequence modifications

A: 1 - 294 (UniProt: P53686)

PDB	External Database	Details
Met -13	-	initiating methionine
Arg -12	-	cloning artifact
Gly -11	-	cloning artifact
Ser -10	-	cloning artifact
His -9	-	expression tag
His -8	-	expression tag
His -7	-	expression tag
His -6	-	expression tag
His -5	-	expression tag
His -4	-	expression tag
Gly -3	-	cloning artifact
Met -2	-	cloning artifact
Ala -1	-	cloning artifact
Ser 0	-	cloning artifact
Phe 117	Ile 117	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	36439.8
Non-Polymers*	Number of molecules	6
	Total formula weight	1096.2
All*	Total formula weight	37536.0

*Water molecules are not included.