5EQB

Crystal structure of lanosterol 14-alpha demethylase with intact transmembrane domain bound to itraconazole

Replaces:  4K0F

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Lanosterol 14-alpha demethylase	polymer	539	61885.2	1	UniProt (P10614) Pfam (PF00067)	Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (Baker's yeast)	CYPLI,Cytochrome P450 51,Cytochrome P450-14DM,Cytochrome P450-LIA1,Sterol 14-alpha demethylase
2	B (A)	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	1	Chemie (HEM)
3	C (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) PubChem (3793) PubChem (21309254) PubChem (55283) PubChem (25103690) PubChem (25261097) PubChem (24867300) PubChem (56682298) PubChem (58612883) PubChem (56675666) PubChem (14179008) PubChem (14179012) PubChem (6917738) PubChem (9961741) PubChem (91563952) PubChem (14179009) PubChem (14179010) PubChem (14179011) PubChem (14179013) PubChem (122699344) PubChem (122699348) PubChem (153052543) PubChem (161302809)
4	D (A)	water	water		18.0	124	Chemie (HOH)

Sequence modifications

A: 1 - 530 (UniProt: P10614)

PDB	External Database	Details
Asn 433	Lys 433	conflict
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	61885.2
Non-Polymers*	Number of molecules	2
	Total formula weight	1322.1
All*	Total formula weight	63207.3

*Water molecules are not included.