4WGH

Crystal structure of aldo/keto reductase from Klebsiella pneumoniae in complex with NADP and acetate at 1.8 A resolution

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Aldehyde reductase	polymer	306	34769.0	1	UniProt (V3S9R5)	Klebsiella pneumoniae
2	B (A)	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	non-polymer		743.4	1	Chemie (NAP)
3	C (A)	ACETATE ION	non-polymer		59.0	1	Chemie (ACT)
4	D (A)	water	water		18.0	225	Chemie (HOH)

Sequence modifications

A: 2 - 284 (UniProt: V3S9R5)

PDB	External Database	Details
Mse -21	-	expression tag
His -20	-	expression tag
His -19	-	expression tag
His -18	-	expression tag
His -17	-	expression tag
His -16	-	expression tag
His -15	-	expression tag
Ser -14	-	expression tag
Ser -13	-	expression tag
Gly -12	-	expression tag
Val -11	-	expression tag
Asp -10	-	expression tag
Leu -9	-	expression tag
Gly -8	-	expression tag
Thr -7	-	expression tag
Glu -6	-	expression tag
Asn -5	-	expression tag
Leu -4	-	expression tag
Tyr -3	-	expression tag
Phe -2	-	expression tag
Gln -1	-	expression tag
Ser 0	-	expression tag
Asn 279	Thr 279	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	34769.0
Non-Polymers*	Number of molecules	2
	Total formula weight	802.4
All*	Total formula weight	35571.4

*Water molecules are not included.