7LES

Acanthamoeba castellanii CYP51 (AcCYP51)-Imidazole complex

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	Obtusifoliol 14alphademethylase, putative	polymer	460	52447.3	4	UniProt (L8GJB3) Pfam (PF00067) In PDB	Acanthamoeba castellanii str. Neff
2	A, B, C, D	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	4	Chemie (HEM)
3	A, B, D	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	6	Chemie (PEG)
4	A, B, C, D	IMIDAZOLE	non-polymer		69.1	4	Chemie (IMD)
5	A, B, C	FORMIC ACID	non-polymer		46.0	3	Chemie (FMT)
6		water	water		18.0	37	Chemie (HOH)

Sequence modifications

A, B, C, D: 43 - 486 (UniProt: L8GJB3)

PDB	External Database	Details
Met 33	-	initiating methionine
Ala 34	-	expression tag
Lys 35	-	expression tag
Lys 36	-	expression tag
Thr 37	-	expression tag
Ser 38	-	expression tag
Ser 39	-	expression tag
Lys 40	-	expression tag
Gly 41	-	expression tag
Lys 42	-	expression tag
His 487	-	expression tag
His 488	-	expression tag
His 489	-	expression tag
His 490	-	expression tag
His 491	-	expression tag
His 492	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	209789.3
Non-Polymers*	Number of molecules	17
	Total formula weight	3517.1
All*	Total formula weight	213306.4

*Water molecules are not included.