5AJR

Sterol 14-alpha demethylase (CYP51) from Trypanosoma cruzi in complex with the 1-tetrazole derivative VT-1161 ((R)-2-(2,4-Difluorophenyl)-1, 1-difluoro-3-(1H-tetrazol-1-yl)-1-(5-(4-(2,2,2-trifluoroethoxy)phenyl) pyridin-2-yl)propan-2-ol)

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	STEROL 14-ALPHA DEMETHYLASE	polymer	460	52552.9	1	UniProt (Q7Z1V1) Pfam (PF00067) In PDB	TRYPANOSOMA CRUZI	TC14DM, CYTOCHROME P450 51
2	A	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	1	Chemie (HEM)
3	A	(R)-2-(2,4-Difluorophenyl)-1,1-difluoro-3-(1H-tetrazol-1-yl)-1-(5-(4-(2,2,2-trifluoroethoxy)phenyl)pyridin-2-yl)propan-2-ol	non-polymer		527.4	1	Chemie (VT1)

Sequence modifications

A: 32 - 481 (UniProt: Q7Z1V1)

PDB	External Database	Details
Ala 28	-	expression tag
Lys 29	-	expression tag
Lys 30	-	expression tag
Thr 31	-	expression tag
His 482	-	expression tag
His 483	-	expression tag
His 484	-	expression tag
His 485	-	expression tag
His 486	-	expression tag
His 487	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	52552.9
Non-Polymers*	Number of molecules	2
	Total formula weight	1143.9
All*	Total formula weight	53696.8

*Water molecules are not included.