4EJJ

Human Cytochrome P450 2A6 in complex with nicotine

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	(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE	non-polymer		162.2	4	Chemie (NCT)
4		water	water		18.0	138	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
Met 23	-	initiating methionine
Ala 24	-	expression tag
Lys 25	-	expression tag
Lys 26	-	expression tag
Thr 27	-	expression tag
Ser 28	-	expression tag
Tyr 392	Phe 393	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	3114.9
All*	Total formula weight	221801.4

*Water molecules are not included.