3E6I

Human cytochrome P450 2E1 in complex with the inhibitor indazole

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	CYPIIE1, P450-J
2	C, E (A, B)	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	2	Chemie (HEM)
3	D, F (A, B)	1H-indazole	non-polymer		118.1	2	Chemie (LZ1)
4	G, H (A, B)	water	water		18.0	171	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	1469.2
All*	Total formula weight	111586.2

*Water molecules are not included.