1X8V

Estriol-bound and ligand-free structures of sterol 14alpha-demethylase (CYP51)

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Cytochrome P450 51	polymer	455	51477.3	1	UniProt (P0A512) Pfam (PF00067) UniProt (by SIFTS) (P9WPP9) In PDB	Mycobacterium tuberculosis	CYPLI, P450-LIA1, Sterol 14-alpha demethylase, Lanosterol 14-alpha demethylase, P450-14DM
2	A	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	1	Chemie (HEM)
3	A	ESTRIOL	non-polymer		288.4	2	Chemie (ESL)
4		water	water		18.0	319	Chemie (HOH)

Sequence modifications

A: 1 - 451 (UniProt: P0A512)

PDB	External Database	Details
Leu 37	Cys 37	engineered mutation
Ala 442	Cys 442	engineered mutation
His 452	-	expression tag
His 453	-	expression tag
His 454	-	expression tag
His 455	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	51477.3
Non-Polymers*	Number of molecules	3
	Total formula weight	1193.2
All*	Total formula weight	52670.5

*Water molecules are not included.