6WR1

Human steroidogenic cytochrome P450 17A1 mutant N52Y with inhibitor abiraterone

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Steroid 17-alpha-hydroxylase/17,20 lyase	polymer	494	55789.2	2	UniProt (P05093) Pfam (PF00067)	Homo sapiens (Human)	17-alpha-hydroxyprogesterone aldolase,CYPXVII,Cytochrome P450 17A1,Cytochrome P450-C17,Cytochrome P450c17,Steroid 17-alpha-monooxygenase
2	C, E (A, B)	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	2	Chemie (HEM)
3	D, F (A, B)	Abiraterone	non-polymer		349.5	2	Chemie (AER) PubChem (18395627) PubChem (176474465) PubChem (21879648) PubChem (176541408) PubChem (44269384) PubChem (44315376) PubChem (132971) PubChem (57519533) PubChem (70870553) PubChem (70982154) PubChem (73707387) PubChem (90143496) PubChem (118618017) PubChem (124918832) PubChem (99565059) PubChem (117808183) PubChem (117809714) PubChem (117852742) PubChem (118617667) PubChem (118618042) PubChem (118691593) PubChem (124385150) PubChem (15251539) PubChem (124918830) PubChem (124918831) PubChem (129009871) PubChem (129448660) PubChem (129460385) PubChem (131632390) PubChem (132239984) PubChem (135292837) PubChem (144862262) PubChem (144878641) PubChem (144987283) PubChem (144987339) PubChem (155688437)
4	G, H (A, B)	water	water		18.0	494	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
Met 19	-	initiating methionine
Ala 20	-	expression tag
Lys 21	-	expression tag
Lys 22	-	expression tag
Thr 23	-	expression tag
Tyr 52	Asn 52	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	2
	Total formula weight	111578.4
Non-Polymers*	Number of molecules	4
	Total formula weight	1932.0
All*	Total formula weight	113510.4

*Water molecules are not included.