2V0M

Crystal structure of human P450 3A4 in complex with ketoconazole

Replaces:  2J0C

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 3A4	polymer	485	55481.5	4	UniProt (P08684) Pfam (PF00067) In PDB	HOMO SAPIENS (HUMAN)	QUININE 3-MONOOXYGENASE, CYPIIIA4, NIFEDIPINE OXIDASE, TAUROCHENODEOXYCHOLATE 6-ALPHA- HYDROXYLASE, NF-25, P450-PCN1
2	A, B, C, D	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	4	Chemie (HEM)
3	A, B, C, D	1-ACETYL-4-(4-{[(2S,4R)-2-(2,4-DICHLOROPHENYL)-2-(1H-IMIDAZOL-1-YLMETHYL)-1,3-DIOXOLAN-4-YL]METHOXY}PHENYL)PIPERAZINE	non-polymer		531.4	8	Chemie (KLN)

Sequence modifications

A, B, C, D: 25 - 503 (UniProt: P08684)

PDB	External Database	Details
Met 23	-	expression tag
Ala 24	-	expression tag
His 504	-	expression tag
His 505	-	expression tag
His 506	-	expression tag
His 507	-	expression tag
Val 392	Trp 391	conflict

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	221925.9
Non-Polymers*	Number of molecules	12
	Total formula weight	6717.4
All*	Total formula weight	228643.3

*Water molecules are not included.