6C55

Crystal structure of Staphylococcus aureus Ketol-acid Reductosimerrase with hydroxyoxamate inhibitor 3

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Ketol-acid reductoisomerase (NADP(+))	polymer	340	37886.6	2	UniProt (Q2YUF3) Pfam (PF07991) Pfam (PF01450) In PDB	Staphylococcus aureus (strain bovine RF122 / ET3-1)	KARI,Acetohydroxy-acid isomeroreductase,AHIR,Alpha-keto-beta-hydroxylacyl reductoisomerase,Ketol-acid reductoisomerase type 1,Ketol-acid reductoisomerase type I
2	A, B	MAGNESIUM ION	non-polymer		24.3	4	Chemie (MG)
3	A, B	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	non-polymer		743.4	2	Chemie (NAP)
4	A	(cyclohexylamino)(oxo)acetic acid	non-polymer		171.2	2	Chemie (EKD)
5	A	[cyclohexyl(hydroxy)amino](oxo)acetic acid	non-polymer		187.2	1	Chemie (EKA)
6		water	water		18.0	280	Chemie (HOH)

Sequence modifications

A, B: 1 - 334 (UniProt: Q2YUF3)

PDB	External Database	Details
His 335	-	expression tag
His 336	-	expression tag
His 337	-	expression tag
His 338	-	expression tag
His 339	-	expression tag
His 340	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	75773.3
Non-Polymers*	Number of molecules	9
	Total formula weight	2113.6
All*	Total formula weight	77886.9

*Water molecules are not included.