7BC1

Crystal structure of aldo-keto reductase from Agrobacterium tumefaciens in a ternary complex with NADPH and glucose

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Aryl-alcohol dehydrogenase	polymer	319	34326.1	1	UniProt (A9CEY6) Pfam (PF00248)	Agrobacterium fabrum (strain C58 / ATCC 33970)
2	B (A)	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	non-polymer		743.4	1	Chemie (NAP)
3	C (A)	alpha-D-glucopyranose	non-polymer		180.2	1	Chemie (GLC)
4	D (A)	water	water		18.0	229	Chemie (HOH)

Sequence modifications

A: 1 - 297 (UniProt: A9CEY6)

PDB	External Database	Details
Met -21	-	initiating methionine
Gly -20	-	expression tag
Ser -19	-	expression tag
Ser -18	-	expression tag
His -17	-	expression tag
His -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
Ser -11	-	expression tag
Ser -10	-	expression tag
Gly -9	-	expression tag
Leu -8	-	expression tag
Glu -7	-	expression tag
Val -6	-	expression tag
Leu -5	-	expression tag
Phe -4	-	expression tag
Gln -3	-	expression tag
Gly -2	-	expression tag
Pro -1	-	expression tag
Ala 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	34326.1
Non-Polymers*	Number of molecules	2
	Total formula weight	923.6
All*	Total formula weight	35249.7

*Water molecules are not included.