3NXU

Crystal structure of human cytochrome P4503A4 bound to an inhibitor ritonavir

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 3A4	polymer	485	55481.5	2	UniProt (P08684) Pfam (PF00067)	Homo sapiens (human)	Quinine 3-monooxygenase, CYPIIIA4, Nifedipine oxidase, Cytochrome P450 3A3, CYPIIIA3, Cytochrome P450 HLp, Taurochenodeoxycholate 6-alpha-hydroxylase, Cytochrome P450 NF-25, Cytochrome P450-PCN1, Albendazole monooxygenase, Albendazole sulfoxidase
2	C, D, E, F, I... (A, B)	DIMETHYL SULFOXIDE	non-polymer		78.1	6	Chemie (DMS) PubChem (679)
3	G, K (A, B)	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	2	Chemie (HEM)
4	H, L (A, B)	RITONAVIR	non-polymer		720.9	2	BIRD (PRD_001001) Chemie (RIT) PubChem (5076) PubChem (60954) PubChem (16760215) PubChem (392622) PubChem (44325718) PubChem (45266310) PubChem (53487909) PubChem (54103495) PubChem (58662536) PubChem (66509020) PubChem (72942039) PubChem (72942040) PubChem (90717239) PubChem (455315) PubChem (10395099) PubChem (93535510) PubChem (92402731) PubChem (93535511) PubChem (93535509) PubChem (9853294) PubChem (135172324) PubChem (123133890) PubChem (133662525) PubChem (134602828) PubChem (134751724) PubChem (141861627) PubChem (169446189) PubChem (169446190) PubChem (170130299)
5	M, N (A, B)	water	water		18.0	389	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
Met 23	-	SEE REMARK 999
Ala 24	-	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	2
	Total formula weight	110963.0
Non-Polymers*	Number of molecules	10
	Total formula weight	3143.7
All*	Total formula weight	114106.6

*Water molecules are not included.