5TE8

Crystal structure of the midazolam-bound human CYP3A4

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	Cytochrome P450 3A4	polymer	487	55757.8	3	UniProt (P08684) Pfam (PF00067) In PDB	Homo sapiens (Human)	1,8-cineole 2-exo-monooxygenase,Albendazole monooxygenase,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, B, C	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	3	Chemie (HEM)
3	A, B, C	8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine	non-polymer		325.8	3	Chemie (08J)
4		water	water		18.0	111	Chemie (HOH)

Sequence modifications

A, B, C: 1 - 503 (UniProt: P08684)

PDB	External Database	Details
Met 1	-	see remark 999
Ala 2	-	see remark 999
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	3
	Total formula weight	167273.4
Non-Polymers*	Number of molecules	6
	Total formula weight	2826.8
All*	Total formula weight	170100.2

*Water molecules are not included.