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	Ketopantoate reductase	polymer	320	35836.9	2	UniProt (P0A9J4) Pfam (PF02558) Pfam (PF08546) In PDB	Escherichia coli K12	2-dehydropantoate 2-reductase, KPA reductase, KPR
2	A, B	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	non-polymer		743.4	2	Chemie (NAP)
3	A, B	PANTOATE	non-polymer		147.1	2	Chemie (PAF)
4	A, B	1,4-DIETHYLENE DIOXIDE	non-polymer		88.1	4	Chemie (DIO)
5	B	ACETATE ION	non-polymer		59.0	1	Chemie (ACT)
6		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.