5ESL

Saccharomyces cerevisiae CYP51 (Lanosterol 14-alpha demethylase) T322I mutant complexed with itraconazole

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Lanosterol 14-alpha demethylase	polymer	539	61897.3	1	UniProt (A6ZSR0) Pfam (PF00067) In PDB	Saccharomyces cerevisiae (strain YJM789) (Baker's yeast)
2	A	2-[(2R)-butan-2-yl]-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one	non-polymer		705.6	1	Chemie (1YN)
3	A	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	1	Chemie (HEM)
4		water	water		18.0	102	Chemie (HOH)

Sequence modifications

A: 1 - 530 (UniProt: A6ZSR0)

PDB	External Database	Details
Ile 322	Thr 322	engineered mutation
Gly 531	-	expression tag
Gly 532	-	expression tag
Arg 533	-	expression tag
His 534	-	expression tag
His 535	-	expression tag
His 536	-	expression tag
His 537	-	expression tag
His 538	-	expression tag
His 539	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	61897.3
Non-Polymers*	Number of molecules	2
	Total formula weight	1322.1
All*	Total formula weight	63219.4

*Water molecules are not included.