9SWH

Crystal structure of aldo-keto reductase 1C3 (AKR1C3) in complex with NADP+ and Myxoglucamide A

This is a non-PDB format compatible entry.

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)	Aldo-keto reductase family 1 member C3	polymer	344	39318.8	2	UniProt (P42330) Pfam (PF00248)	Homo sapiens (human)	17-beta-hydroxysteroid dehydrogenase type 5,17-beta-HSD 5,3-alpha-HSD type II,brain,3-alpha-hydroxysteroid dehydrogenase type 2,3-alpha-HSD type 2,Chlordecone reductase homolog HAKRb,Dihydrodiol dehydrogenase 3,DD-3,DD3,Dihydrodiol dehydrogenase type I,HA1753,Prostaglandin F synthase,PGFS,Testosterone 17-beta-dehydrogenase 5
2	C, E (A, B)	Myxoglucamide A	non-polymer		646.8	2	Chemie (A1JRA)
3	D, F (A, B)	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	non-polymer		743.4	2	Chemie (NAP)
4	G, H (B)	(R,R)-2,3-BUTANEDIOL	non-polymer		90.1	2	Chemie (BU3) PubChem (225936)
5	I, J (A, B)	water	water		18.0	177	Chemie (HOH)

Sequence modifications

A, B: 1 - 323 (UniProt: P42330)

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

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	78637.5
Non-Polymers*	Number of molecules	6
	Total formula weight	2960.7
All*	Total formula weight	81598.2

*Water molecules are not included.