6B82

Zebra Fish CYP-450 17A1 Mutant Abiraterone Complex

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)	Cytochrome P450, family 17, subfamily A, polypeptide 1	polymer	509	57471.2	2	UniProt (A2ATX9) Pfam (PF00067) UniProt (by SIFTS) (A0A8M1PIC7)	Danio rerio (Zebrafish)
2	C, F (A, B)	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	2	Chemie (HEM)
3	D, G (A, B)	Abiraterone	non-polymer		349.5	2	Chemie (AER)
4	E, I, J, K (A, B)	ACETATE ION	non-polymer		59.0	4	Chemie (ACT)
5	H (B)	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
6	L, M (A, B)	water	water		18.0	34	Chemie (HOH)

Sequence modifications

A, B: 27 - 519 (UniProt: A2ATX9)

PDB	External Database	Details
Met 17	-	initiating methionine
Ala 18	-	expression tag
Lys 19	-	expression tag
Lys 20	-	expression tag
Thr 21	-	expression tag
Ser 22	-	expression tag
Ser 23	-	expression tag
Lys 24	-	expression tag
Gly 25	-	expression tag
Lys 26	-	expression tag
Glu 309	Asp 309	engineered mutation
Thr 321	Val 321	engineered mutation
Cys 369	Arg 369	engineered mutation
Met 372	Leu 372	engineered mutation
Met 407	Leu 407	engineered mutation
His 520	-	expression tag
His 521	-	expression tag
His 522	-	expression tag
His 523	-	expression tag
His 524	-	expression tag
His 525	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	114942.4
Non-Polymers*	Number of molecules	9
	Total formula weight	2203.6
All*	Total formula weight	117146.1

*Water molecules are not included.