7LYX

Crystal structure of human CYP8B1 in complex with (S)-tioconazole

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	7-alpha-hydroxycholest-4-en-3-one 12-alpha-hydroxylase	polymer	489	57129.7	1	UniProt (Q9UNU6) Pfam (PF00067) In PDB	Homo sapiens (Human)	7-alpha-hydroxy-4-cholesten-3-one 12-alpha-hydroxylase,CYPVIIIB1,Cytochrome P450 8B1,Sterol 12-alpha-hydroxylase
2	A	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	1	Chemie (HEM)
3	A	(S)-Tioconazole	non-polymer		387.7	1	Chemie (YHM)
4	A	GLYCEROL	non-polymer		92.1	1	Chemie (GOL)
5	A	POTASSIUM ION	non-polymer		39.1	1	Chemie (K)
6		water	water		18.0	17	Chemie (HOH)

Sequence modifications

A: 26 - 501 (UniProt: Q9UNU6)

PDB	External Database	Details
Met 19	-	initiating methionine
Ala 20	-	expression tag
Lys 21	-	expression tag
Lys 22	-	expression tag
Thr 23	-	expression tag
Ser 24	-	expression tag
Ser 25	-	expression tag
His 502	-	expression tag
His 503	-	expression tag
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	1
	Total formula weight	57129.7
Non-Polymers*	Number of molecules	4
	Total formula weight	1135.4
All*	Total formula weight	58265.1

*Water molecules are not included.