4ZV8

Structure of CYP2B6 (Y226H/K262R) with additional mutation Y244W in complex with alpha-Pinene

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Cytochrome P450 2B6	polymer	476	54669.0	1	UniProt (P20813) Pfam (PF00067)	Homo sapiens (Human)	1,4-cineole 2-exo-monooxygenase,CYPIIB6,Cytochrome P450 IIB1
2	B (A)	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	1	Chemie (HEM)
3	C (A)	(+)-alpha-Pinene	non-polymer		136.2	1	Chemie (TMH)
4	D, E (A)	5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE	non-polymer		494.6	2	Chemie (CM5)
5	F (A)	water	water		18.0	267	Chemie (HOH)

Sequence modifications

A: 30 - 491 (UniProt: P20813)

PDB	External Database	Details
Met 20	-	expression tag
Ala 21	-	expression tag
Lys 22	-	expression tag
Lys 23	-	expression tag
Thr 24	-	expression tag
Ser 25	-	expression tag
Ser 26	-	expression tag
Lys 27	-	expression tag
Gly 28	-	expression tag
Lys 29	-	expression tag
His 226	Tyr 226	engineered mutation
Trp 244	Tyr 244	engineered mutation
Arg 262	Lys 262	engineered mutation
His 492	-	expression tag
His 493	-	expression tag
His 494	-	expression tag
His 495	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	54669.0
Non-Polymers*	Number of molecules	4
	Total formula weight	1741.9
All*	Total formula weight	56410.9

*Water molecules are not included.