3EBS

Human Cytochrome P450 2A6 I208S/I300F/G301A/S369G in complex with Phenacetin

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 (A, B, C, D)	Cytochrome P450 2A6	polymer	476	54663.6	4	UniProt (P11509) Pfam (PF00067)	Homo sapiens (Human)	CYPIIA6, Coumarin 7-hydroxylase, P450 IIA3, CYP2A3, P450(I)
2	E, G, I, J (A, B, C, D)	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	4	Chemie (HEM)
3	F, H, K (A, B, D)	N-(4-ethoxyphenyl)acetamide	non-polymer		179.2	3	Chemie (N4E)
4	L, M, N, O (A, B, C, D)	water	water		18.0	276	Chemie (HOH)

Sequence modifications

A, B, C, D: 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
Ser 208	Ile 208	engineered mutation
Phe 300	Ile 300	engineered mutation
Ala 301	Gly 301	engineered mutation
Gly 369	Ser 369	engineered mutation
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	4
	Total formula weight	218654.3
Non-Polymers*	Number of molecules	7
	Total formula weight	3003.6
All*	Total formula weight	221657.9

*Water molecules are not included.