4CK8

STEROL 14-ALPHA DEMETHYLASE (CYP51)FROM TRYPANOSOMA CRUZI IN COMPLEX WITH (R)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl 4-(4-(3,4- dichlorophenyl)piperazin-1-yl)phenylcarbamate (LFD)

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	STEROL 14-ALPHA DEMETHYLASE	polymer	460	52552.9	2	UniProt (Q7Z1V1) Pfam (PF00067) In PDB	TRYPANOSOMA CRUZI	TC14DM, CYTOCHROME P450 51, CYP51
2	A, B	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	2	Chemie (HEM)
3	A, B	(1R)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl {4-[4-(3,4-dichlorophenyl)piperazin-1-yl]phenyl}carbamate	non-polymer		605.3	2	Chemie (LFD)
4		water	water		18.0	24	Chemie (HOH)

Sequence modifications

A, B: 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	2
	Total formula weight	105105.8
Non-Polymers*	Number of molecules	4
	Total formula weight	2443.7
All*	Total formula weight	107549.5

*Water molecules are not included.