3T3R

Human Cytochrome P450 2A6 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	Cytochrome P450 2A6	polymer	476	54671.6	4	UniProt (P11509) Pfam (PF00067) In PDB	Homo sapiens (human)	CYPIIA6, Coumarin 7-hydroxylase, Cytochrome P450 IIA3, Cytochrome P450(I)
2	A, B, C, D	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	4	Chemie (HEM)
3	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		water	water		18.0	217	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
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	218686.5
Non-Polymers*	Number of molecules	8
	Total formula weight	3299.0
All*	Total formula weight	221985.5

*Water molecules are not included.