3T3Q

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

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, Cytochrome P450 IIA3, Cytochrome P450(I)
2	E, G, I, K (A, B, C, D)	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	4	Chemie (HEM)
3	F, H, J, L (A, B, C, D)	(3S,4R)-3-ethyl-4-[(1-methyl-1H-imidazol-5-yl)methyl]dihydrofuran-2(3H)-one	non-polymer		208.3	4	Chemie (9PL)
4	M, N, O, P (A, B, C, D)	water	water		18.0	504	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
Tyr 392	Phe 392	SEE REMARK 999
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	8
	Total formula weight	3299.0
All*	Total formula weight	221953.3

*Water molecules are not included.