6FMO

Crystal structure of the substrate (obtusifoliol)-bound and ligand-free I105F mutant of sterol 14-alpha demethylase (CYP51) from Trypanosoma cruzi

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D	Sterol 14alpha-demethylase	polymer	485	55326.2	4	UniProt (M1FYE4) Pfam (PF00067) UniProt (by SIFTS) (Q7Z1V1) In PDB	Trypanosoma cruzi
2	A, B, C, D	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	4	Chemie (HEM)
3	A, B, C	Obtusifoliol	non-polymer		426.7	3	Chemie (DVE)
4		water	water		18.0	5	Chemie (HOH)

Sequence modifications

A, B, C, D: 1 - 481 (UniProt: M1FYE4)

PDB	External Database	Details
Leu 31	Asp 31	conflict
Phe 105	Ile 105	engineered mutation
Pro 355	Ser 355	conflict
His 482	-	expression tag
His 483	-	expression tag
His 484	-	expression tag
His 485	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	221304.8
Non-Polymers*	Number of molecules	7
	Total formula weight	3746.1
All*	Total formula weight	225050.9

*Water molecules are not included.