5DX6

Acetolactate Synthase from Klebsiella pneumoniae soaked with beta-fluoropyruvate

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Acetolactate synthase, catabolic	polymer	579	62555.1	2	UniProt (P27696) Pfam (PF02776) Pfam (PF00205) Pfam (PF02775) In PDB	Klebsiella pneumoniae	ALS
2	A	PHOSPHATE ION	non-polymer		95.0	1	Chemie (PO4)
3	A, B	MAGNESIUM ION	non-polymer		24.3	4	Chemie (MG)
4	A	3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-[(1R)-2-fluoro-1-hydroxyethyl]-5-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium	non-polymer		487.4	1	Chemie (5GY)
5	B	THIAMINE DIPHOSPHATE	non-polymer		425.3	1	Chemie (TPP)
6	B	3-fluoro-2-oxopropanoic acid	non-polymer		106.1	1	Chemie (65S)
7		water	water		18.0	780	Chemie (HOH)

Sequence modifications

A, B: 1 - 559 (UniProt: P27696)

PDB	External Database	Details
Met -19	-	initiating methionine
Gly -18	-	expression tag
Ser -17	-	expression tag
Ser -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
Ser -9	-	expression tag
Ser -8	-	expression tag
Gly -7	-	expression tag
Leu -6	-	expression tag
Val -5	-	expression tag
Pro -4	-	expression tag
Arg -3	-	expression tag
Gly -2	-	expression tag
Ser -1	-	expression tag
His 0	-	expression tag
Ser 407	Thr 407	conflict

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	125110.2
Non-Polymers*	Number of molecules	8
	Total formula weight	1210.9
All*	Total formula weight	126321.1

*Water molecules are not included.