4RUI

Crystal structure of a cytochrome P450 2A6 in complex with a monoterpene - sabinene.

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, E... (D, A, B, C, E...)	Cytochrome P450 2A6	polymer	476	54671.6	6	UniProt (P11509) Pfam (PF00067)	Homo sapiens (human)	1,4-cineole 2-exo-monooxygenase, CYPIIA6, Coumarin 7-hydroxylase, Cytochrome P450 IIA3, Cytochrome P450(I)
2	G, J, K, M, O... (D, A, B, C, E...)	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	6	Chemie (HEM)
3	H, I, L, N, P... (D, A, B, C, E...)	Sabinene	non-polymer		136.2	6	Chemie (SNE)
4	S, T, U, V, W... (D, A, B, C, E...)	water	water		18.0	312	Chemie (HOH)

Sequence modifications

D, A, B, C, E, F: 29 - 494 (UniProt: P11509)

PDB	External Database	Details
Met 23	-	expression tag
Ala 24	-	expression tag
Lys 25	-	expression tag
Lys 26	-	expression tag
Thr 27	-	expression tag
Ser 28	-	expression tag
Tyr 392	Phe 392	variant
His 495	-	expression tag
His 496	-	expression tag
His 497	-	expression tag
His 498	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	6
	Total formula weight	328029.8
Non-Polymers*	Number of molecules	12
	Total formula weight	4516.3
All*	Total formula weight	332546.1

*Water molecules are not included.