6OO9

Human CYP3A4 bound to a drug mibefradil

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Cytochrome P450 3A4	polymer	487	55757.8	1	UniProt (P08684) Pfam (PF00067) In PDB	Homo sapiens (Human)	1,8-cineole 2-exo-monooxygenase,Albendazole monooxygenase (sulfoxide-forming),Albendazole sulfoxidase,CYPIIIA3,CYPIIIA4,Cholesterol 25-hydroxylase,Cytochrome P450 3A3,Cytochrome P450 HLp,Cytochrome P450 NF-25,Cytochrome P450-PCN1,Nifedipine oxidase,Quinine 3-monooxygenase,Taurochenodeoxycholate 6-alpha-hydroxylase
2	A	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	1	Chemie (HEM)
3	A	(1S,2S)-2-(2-{[3-(1H-benzimidazol-2-yl)propyl](methyl)amino}ethyl)-6-fluoro-1-(propan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-yl methoxyacetate	non-polymer		495.6	1	Chemie (MWV)
4	A	1,2-ETHANEDIOL	non-polymer		62.1	2	Chemie (EDO)
5	A	DIMETHYL SULFOXIDE	non-polymer		78.1	1	Chemie (DMS)
6		water	water		18.0	59	Chemie (HOH)

Sequence modifications

A: 21 - 503 (UniProt: P08684)

PDB	External Database	Details
-	Leu 3	deletion
-	Ile 4	deletion
-	Pro 5	deletion
-	Asp 6	deletion
-	Leu 7	deletion
-	Ala 8	deletion
-	Met 9	deletion
-	Glu 10	deletion
-	Thr 11	deletion
-	Trp 12	deletion
-	Leu 13	deletion
-	Leu 14	deletion
-	Leu 15	deletion
-	Ala 16	deletion
-	Val 17	deletion
-	Ser 18	deletion
-	Leu 19	deletion
-	Val 20	deletion
-	Leu 21	deletion
-	Leu 22	deletion
His 504	-	expression tag
His 505	-	expression tag
His 506	-	expression tag
His 507	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	55757.8
Non-Polymers*	Number of molecules	5
	Total formula weight	1314.4
All*	Total formula weight	57072.2

*Water molecules are not included.