3SN5

Crystal structure of human CYP7A1 in complex with cholest-4-en-3-one

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Cholesterol 7-alpha-monooxygenase	polymer	491	56481.8	2	UniProt (P22680) Pfam (PF00067) In PDB	Homo sapiens (human)	CYP7A1, CYPVII, Cholesterol 7-alpha-hydroxylase, Cytochrome P450 7A1
2	A, B	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	2	Chemie (HEM)
3	A, B	(8ALPHA,9BETA)-CHOLEST-4-EN-3-ONE	non-polymer		384.6	2	Chemie (K2B)
4	A, B	UNKNOWN ATOM OR ION	non-polymer			8	Chemie (UNX)
5		water	water		18.0	36	Chemie (HOH)

Sequence modifications

A, B: 25 - 503 (UniProt: P22680)

PDB	External Database	Details
Met 18	-	expression tag
Ala 19	-	expression tag
Lys 20	-	expression tag
Lys 21	-	expression tag
Thr 22	-	expression tag
Ser 23	-	expression tag
Ser 24	-	expression tag
Leu 104	Thr 104	engineered mutation
His 504	-	expression tag
His 505	-	expression tag
His 506	-	expression tag
His 507	-	expression tag
His 508	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	112963.7
Non-Polymers*	Number of molecules	12
	Total formula weight	2002.3
All*	Total formula weight	114965.9

*Water molecules are not included.