4AUB

the complex Structure of the bacterial aldo-keto reductase AKR14A1 with NADP and citrate

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D, E... (A, B, C, D, E...)	ALDO-KETO REDUCTASE AKR14A1	polymer	366	41047.5	8	UniProt (Q46851) Pfam (PF00248)	ESCHERICHIA COLI K-12
2	I, K, M, P, R... (A, B, C, E, F...)	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	non-polymer		743.4	7	Chemie (NAP) PubChem (5885) PubChem (46936685) PubChem (4412) PubChem (90473931) PubChem (91972139) PubChem (145946263) PubChem (153311489) PubChem (174001641) PubChem (71717786) PubChem (165382010)
3	J, L, N, O, Q... (A, B, C, D, E...)	CITRATE ANION	non-polymer		189.1	8	Chemie (FLC) PubChem (31348)
4	AA, BA, CA, DA, EA... (D, E, F, G, H...)	water	water		18.0	1161	Chemie (HOH)

Sequence modifications

A, B, C, D, E, F, G, H: 1 - 346 (UniProt: Q46851)

PDB	External Database	Details
Met -19	-	expression tag
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

Contents of the asymmetric unit

Polymers	Number of chains	8
	Total formula weight	328379.6
Non-Polymers*	Number of molecules	15
	Total formula weight	6716.6
All*	Total formula weight	335096.3

*Water molecules are not included.