5W3K

Crystal structure of Staphylococcus aureus ketol-acid reductoisomerase in complex NADPH, Mg2+ and CPD

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 (A0A145BYP4) Pfam (PF07991) Pfam (PF01450) UniProt (by SIFTS) (Q2FWK4) In PDB	Staphylococcus aureus	KARI,Acetohydroxy-acid isomeroreductase,AHIR,Alpha-keto-beta-hydroxylacyl reductoisomerase
2	A, B	cyclopropane-1,1-dicarboxylic acid	non-polymer		130.1	2	Chemie (9TY)
3	A, B	MAGNESIUM ION	non-polymer		24.3	6	Chemie (MG)
4	A, B	NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	non-polymer		745.4	2	Chemie (NDP)
5		water	water		18.0	671	Chemie (HOH)

Sequence modifications

A, B: 1 - 334 (UniProt: A0A145BYP4)

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	10
	Total formula weight	1896.9
All*	Total formula weight	77670.2

*Water molecules are not included.