2OFP

Crystal structure of Escherichia coli ketopantoate reductase in a ternary complex with NADP+ and pantoate

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Ketopantoate reductase	polymer	320	35836.9	2	UniProt (P0A9J4) Pfam (PF02558) Pfam (PF08546)	Escherichia coli K12	2-dehydropantoate 2-reductase, KPA reductase, KPR
2	C, H (A, B)	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	non-polymer		743.4	2	Chemie (NAP) PubChem (5885) PubChem (46936685) PubChem (71717786) PubChem (4412) PubChem (90473931) PubChem (91972139) PubChem (145946263) PubChem (153311489) PubChem (174001641) PubChem (165382010)
3	D, I (A, B)	PANTOATE	non-polymer		147.1	2	Chemie (PAF) PubChem (3283973) PubChem (5289105)
4	E, F, J, K (A, B)	1,4-DIETHYLENE DIOXIDE	non-polymer		88.1	4	Chemie (DIO)
5	G (B)	ACETATE ION	non-polymer		59.0	1	Chemie (ACT) PubChem (175)
6	L, M (A, B)	water	water		18.0	508	Chemie (HOH)

Sequence modifications

A, B: 1 - 303 (UniProt: P0A9J4)

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

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	71673.7
Non-Polymers*	Number of molecules	9
	Total formula weight	2192.6
All*	Total formula weight	73866.3

*Water molecules are not included.