3UZZ

Crystal structure of 5beta-reductase (AKR1D1) E120H mutant in complex with NADP+ and delta4-androstenedione

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	3-oxo-5-beta-steroid 4-dehydrogenase	polymer	346	39608.3	2	UniProt (P51857) Pfam (PF00248) In PDB	Homo sapiens (human)	Aldo-keto reductase family 1 member D1, Delta(4)-3-ketosteroid 5-beta-reductase, Delta(4)-3-oxosteroid 5-beta-reductase
2	A, B	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	non-polymer		743.4	2	Chemie (NAP)
3	A	TESTOSTERONE	non-polymer		288.4	1	Chemie (TES)
4	A	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
5	B	4-ANDROSTENE-3-17-DIONE	non-polymer		286.4	1	Chemie (ASD)
6		water	water		18.0	504	Chemie (HOH)

Sequence modifications

A, B: 1 - 326 (UniProt: P51857)

PDB	External Database	Details
Met -19	-	expression tag
Gly -18	-	expression tag
Ser -17	-	expression tag
Ser -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
Ser -9	-	expression tag
Ser -8	-	expression tag
Gly -7	-	expression tag
Leu -6	-	expression tag
Val -5	-	expression tag
Pro -4	-	expression tag
Arg -3	-	expression tag
Gly -2	-	expression tag
Ser -1	-	expression tag
His 0	-	expression tag
His 120	Glu 120	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	79216.6
Non-Polymers*	Number of molecules	5
	Total formula weight	2097.1
All*	Total formula weight	81313.7

*Water molecules are not included.