3KHM

Crystal structure of sterol 14alpha-demethylase (CYP51) from Trypanosoma cruzi in complex with inhibitor fluconazole

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Sterol 14 alpha-demethylase	polymer	464	52925.3	1	UniProt (Q5I4E1) Pfam (PF00067) UniProt (by SIFTS) (Q7Z1V1)	Trypanosoma cruzi
2	B (A)	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	1	Chemie (HEM)
3	C (A)	2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL	non-polymer		306.3	1	Chemie (TPF)

Sequence modifications

A: 24 - 481 (UniProt: Q5I4E1)

PDB	External Database	Details
Lys 24	Phe 24	engineered mutation
Thr 25	Asn 25	engineered mutation
Ser 26	Thr 26	engineered mutation
Gly 27	Thr 27	engineered mutation
Lys 28	Arg 28	engineered mutation
Gly 29	Pro 29	engineered mutation
Lys 30	Thr 30	engineered mutation
Leu 31	Asp 31	engineered mutation
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	52925.3
Non-Polymers*	Number of molecules	2
	Total formula weight	922.8
All*	Total formula weight	53848.1

*Water molecules are not included.