7X3O

Crystal structure of Aldo-keto reductase 1C3 complexed with compound S07054

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	329	37735.1	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)	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	non-polymer		743.4	2	Chemie (NAP)
3	D, F (A, B)	(2~{R})-2-(3-fluoranyl-4-pyrimidin-5-yl-phenyl)butanoic acid	non-polymer		260.3	2	Chemie (8IT)
4	G, H (A, B)	water	water		18.0	295	Chemie (HOH)

Sequence modifications

A, B: 2 - 323 (UniProt: P42330)

PDB	External Database	Details
Met -5	-	initiating methionine
His -4	-	expression tag
His -3	-	expression tag
His -2	-	expression tag
His -1	-	expression tag
His 0	-	expression tag
His 1	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	75470.2
Non-Polymers*	Number of molecules	4
	Total formula weight	2007.3
All*	Total formula weight	77477.6

*Water molecules are not included.