4XVD

17beta-HSD5 in complex with 4-nitro-2-({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}methyl)phenol

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,Testosterone 17-beta-dehydrogenase 5
2	A, B	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	non-polymer		743.4	2	Chemie (NAP)
3	A, B	4-nitro-2-({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}methyl)phenol	non-polymer		381.3	2	Chemie (WDV)
4		water	water		18.0	13	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	4
	Total formula weight	2249.5
All*	Total formula weight	78204.3

*Water molecules are not included.