3E4E

Human cytochrome P450 2E1 in complex with the inhibitor 4-methylpyrazole

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 2E1	polymer	476	55058.5	2	UniProt (P05181) Pfam (PF00067)	Homo sapiens (Human)	CYPIIE1, P450-J
2	C, E (A, B)	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	2	Chemie (HEM)
3	D, F (A, B)	4-methyl-1H-pyrazole	non-polymer		82.1	2	Chemie (4PZ)
4	G, H (A, B)	water	water		18.0	66	Chemie (HOH)

Sequence modifications

A, B: 32 - 493 (UniProt: P05181)

PDB	External Database	Details
Met 22	-	expression tag
Ala 23	-	expression tag
Lys 24	-	expression tag
Lys 25	-	expression tag
Thr 26	-	expression tag
Ser 27	-	expression tag
Ser 28	-	expression tag
Lys 29	-	expression tag
Gly 30	-	expression tag
Lys 31	-	expression tag
His 494	-	expression tag
His 495	-	expression tag
His 496	-	expression tag
His 497	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	110117.0
Non-Polymers*	Number of molecules	4
	Total formula weight	1397.2
All*	Total formula weight	111514.2

*Water molecules are not included.