4NKZ

Human steroidogenic cytochrome P450 17A1 mutant A105L with substrate 17alpha-hydroxypregnenolone

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D	Steroid 17-alpha-hydroxylase/17,20 lyase	polymer	494	55782.2	4	UniProt (P05093) Pfam (PF00067) In PDB	Homo sapiens (human)	17-alpha-hydroxyprogesterone aldolase, CYPXVII, Cytochrome P450 17A1, Cytochrome P450-C17, Cytochrome P450c17, Steroid 17-alpha-monooxygenase
2	A, B, C, D	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	4	Chemie (HEM)
3	A, B, C, D	(3alpha,8alpha)-3,17-dihydroxypregn-5-en-20-one	non-polymer		332.5	4	Chemie (LZZ)
4		water	water		18.0	8	Chemie (HOH)

Sequence modifications

A, B, C, D: 24 - 508 (UniProt: P05093)

PDB	External Database	Details
Met 19	-	expression tag
Ala 20	-	expression tag
Lys 21	-	expression tag
Lys 22	-	expression tag
Thr 23	-	expression tag
Leu 105	Ala 105	engineered mutation
His 509	-	expression tag
His 510	-	expression tag
His 511	-	expression tag
His 512	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	223128.9
Non-Polymers*	Number of molecules	8
	Total formula weight	3795.9
All*	Total formula weight	226924.7

*Water molecules are not included.