6UNM

CYP3A4 bound to an inhibitor

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Cytochrome P450 3A4	polymer	487	55757.8	2	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	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	2	Chemie (HEM)
3	A	tert-butyl [(2S)-1-(naphthalen-1-yl)-3-{[(2S)-3-(naphthalen-1-yl)-1-oxo-1-{(E)-[2-(pyridin-3-yl)ethylidene]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate	non-polymer		617.8	1	Chemie (QDP)

Sequence modifications

A, B: 23 - 503 (UniProt: P08684)

PDB	External Database	Details
Met 21	-	initiating methionine
Ala 22	-	expression tag
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	2
	Total formula weight	111515.6
Non-Polymers*	Number of molecules	3
	Total formula weight	1850.8
All*	Total formula weight	113366.4

*Water molecules are not included.