4FAM

Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 in complex with 3-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)benzoic acid (17)

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Aldo-keto reductase family 1 member C3	polymer	331	37977.4	2	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, B	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	non-polymer		743.4	2	Chemie (NAP)
3	A, B	3-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)benzoic acid	non-polymer		317.4	2	Chemie (0SZ)
4	A, B	1,2-ETHANEDIOL	non-polymer		62.1	9	Chemie (EDO)
5		water	water		18.0	571	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
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	2
	Total formula weight	75954.7
Non-Polymers*	Number of molecules	13
	Total formula weight	2680.1
All*	Total formula weight	78634.9

*Water molecules are not included.