4DZ5

W227F active site mutant of AKR1C3

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Aldo-keto reductase family 1 member C3	polymer	331	37938.3	1	UniProt (P42330) Pfam (PF00248) In PDB	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, Indanol dehydrogenase, Prostaglandin F synthase, PGFS, Testosterone 17-beta-dehydrogenase 5, Trans-1,2-dihydrobenzene-1,2-diol dehydrogenase
2	A	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	non-polymer		743.4	1	Chemie (NAP)
3	A	1,2-ETHANEDIOL	non-polymer		62.1	2	Chemie (EDO)
4	A	ACETATE ION	non-polymer		59.0	1	Chemie (ACT)
5	A	TETRAETHYLENE GLYCOL	non-polymer		194.2	1	Chemie (PG4)
6		water	water		18.0	186	Chemie (HOH)

Sequence modifications

A: 1 - 323 (UniProt: P42330)

PDB	External Database	Details
Phe 227	Trp 227	engineered mutation
Leu 324	-	expression tag
Glu 325	-	expression tag
His 326	-	expression tag
His 327	-	expression tag
His 328	-	expression tag
His 329	-	expression tag
His 330	-	expression tag
His 331	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	37938.3
Non-Polymers*	Number of molecules	5
	Total formula weight	1120.8
All*	Total formula weight	39059.1

*Water molecules are not included.