6UW2

Clotrimazole bound complex of Acanthamoeba castellanii CYP51

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, E... (A, B, C, D, E...)	Obtusifoliol 14alphademethylase	polymer	460	52447.3	6	UniProt (L8GJB3) Pfam (PF00067)	Acanthamoeba castellanii str. Neff
2	G, I, L, O, Q... (A, B, C, D, E...)	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	6	Chemie (HEM)
3	H, J, M, P, R... (A, B, C, D, E...)	1-[(2-CHLOROPHENYL)(DIPHENYL)METHYL]-1H-IMIDAZOLE	non-polymer		344.8	6	Chemie (CL6)
4	K, N, U (B, C, F)	GUANIDINE	non-polymer		59.1	3	Chemie (GAI)
5	AA, V, W, X, Y... (F, A, B, C, D...)	water	water		18.0	46	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
Met 33	-	expression tag
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	6
	Total formula weight	314683.9
Non-Polymers*	Number of molecules	15
	Total formula weight	5945.2
All*	Total formula weight	320629.1

*Water molecules are not included.