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) PubChem (2723720) PubChem (6654) PubChem (82227) PubChem (440968) PubChem (12172380) PubChem (12223112) PubChem (12223113) PubChem (12223117) PubChem (12223114)
4	D, E (A)	5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE	non-polymer		494.6	2	Chemie (CM5) PubChem (5327073) PubChem (44483217) PubChem (46897875) PubChem (59518660) PubChem (68343857) PubChem (73659147) PubChem (5142094) PubChem (58112563) PubChem (70796429) PubChem (70839941) PubChem (70863059) PubChem (89951995) PubChem (92132104) PubChem (126731025) PubChem (126735874) PubChem (133612054)
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.