5FSA

Crystal structure of sterol 14-alpha demethylase (CYP51) from a pathogenic yeast Candida albicans in complex with the antifungal drug posaconazole

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	CYP51 VARIANT1	polymer	490	56435.2	2	UniProt (Q9P4W0) Pfam (PF00067) UniProt (by SIFTS) (P10613) In PDB	CANDIDA ALBICANS	STEROL 14ALPHA-DEMETHYLASE
2	A, B	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	2	Chemie (HEM)
3	A, B	POSACONAZOLE	non-polymer		700.8	2	Chemie (X2N)
4		water	water		18.0	127	Chemie (HOH)

Sequence modifications

A, B: 49 - 528 (UniProt: Q9P4W0)

PDB	External Database	Details
Met 43	-	expression tag
Ala 44	-	expression tag
Lys 45	-	expression tag
Lys 46	-	expression tag
Thr 47	-	expression tag
Pro 48	-	expression tag
His 529	-	expression tag
His 530	-	expression tag
His 531	-	expression tag
His 532	-	expression tag
Leu 263	Ser 263	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	112870.4
Non-Polymers*	Number of molecules	4
	Total formula weight	2634.5
All*	Total formula weight	115504.9

*Water molecules are not included.