4WNW

Human Cytochrome P450 2D6 Thioridazine Complex

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Cytochrome P450 2D6	polymer	479	53730.6	2	UniProt (P10635) Pfam (PF00067)	Homo sapiens (Human)	CYPIID6,Cytochrome P450-DB1,Debrisoquine 4-hydroxylase
2	C, F (A, B)	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	2	Chemie (HEM)
3	D, G (A, B)	10-{2-[(2R)-1-methylpiperidin-2-yl]ethyl}-2-(methylsulfanyl)-10H-phenothiazine	non-polymer		370.6	2	Chemie (RTZ)
4	E, H (A, B)	SODIUM ION	non-polymer		23.0	2	Chemie (NA)
5	I (B)	NICKEL (II) ION	non-polymer		58.7	1	Chemie (NI)

Sequence modifications

A, B: 34 - 497 (UniProt: P10635)

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
Ser 29	-	expression tag
Lys 30	-	expression tag
Gly 31	-	expression tag
Lys 32	-	expression tag
Leu 33	-	expression tag
His 498	-	expression tag
His 499	-	expression tag
His 500	-	expression tag
His 501	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	107461.1
Non-Polymers*	Number of molecules	7
	Total formula weight	2078.8
All*	Total formula weight	109539.9

*Water molecules are not included.