2X2N

X-ray structure of cyp51 from trypanosoma brucei in complex with posaconazole in two different conformations

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 (A, B, C, D)	LANOSTEROL 14-ALPHA-DEMETHYLASE	polymer	475	53801.5	4	UniProt (Q385E8) Pfam (PF00067)	TRYPANOSOMA BRUCEI	STEROL 14 ALPHA-DEMETHYLASE, CYP51
2	E, G, I, K (A, B, C, D)	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	4	Chemie (HEM)
3	F, H, J, L (A, B, C, D)	POSACONAZOLE	non-polymer		700.8	4	Chemie (X2N) PubChem (176477119) PubChem (22875880) PubChem (147912) PubChem (21309251) PubChem (22875881) PubChem (21910730) PubChem (22875877) PubChem (24859194) PubChem (468595) PubChem (57417226) PubChem (58756608) PubChem (58649001) PubChem (59047101) PubChem (69944315) PubChem (70795732) PubChem (11520437) PubChem (11542142) PubChem (89744654) PubChem (90338708) PubChem (94865927) PubChem (94865928) PubChem (94865929) PubChem (124600647) PubChem (129011664) PubChem (129011666) PubChem (129132263) PubChem (118703725) PubChem (134814112) PubChem (143880161) PubChem (12010394) PubChem (123334345) PubChem (124671302) PubChem (138572818) PubChem (129010329) PubChem (129011665) PubChem (129011667) PubChem (129011668) PubChem (146270092) PubChem (171380465) PubChem (144360897) PubChem (169544619) PubChem (175673747) PubChem (175673756)
4	M, N, O, P (A, B, C, D)	water	water		18.0	250	Chemie (HOH)

Sequence modifications

A, B, C, D: 15 - 21 (PDB: 2X2N)
A, B, C, D: 482 - 489 (PDB: 2X2N)
A, B, C, D: 22 - 481 (UniProt: Q385E8)

PDB	External Database	Details
Ala 249	Glu 249	engineered mutation
Ala 250	Glu 250	engineered mutation
Ala 251	Glu 251	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	215206.0
Non-Polymers*	Number of molecules	8
	Total formula weight	5269.1
All*	Total formula weight	220475.0

*Water molecules are not included.