3LD6

Crystal structure of human lanosterol 14alpha-demethylase (CYP51) in complex with ketoconazole

Replaces:  3I3K

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Lanosterol 14-alpha demethylase	polymer	461	52769.5	2	UniProt (Q16850) Pfam (PF00067) In PDB	Homo sapiens (human)	LDM, Cytochrome P450 51A1, CYPLI, P450LI, Sterol 14-alpha demethylase, P450-14DM, P45014DM
2	C, D	Cycloheptakis-(1-4)-(alpha-D-glucopyranose)	branched		1153.0	2	In PDB BIRD (PRD_900012) GlyTouCan (G01435GL)		beta-cyclodextrin
3	A, B	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	2	Chemie (HEM)
4	A, B	1-acetyl-4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine	non-polymer		531.4	2	Chemie (KKK)
5		water	water		18.0	38	Chemie (HOH)

Sequence modifications

A, B: 54 - 502 (UniProt: Q16850)

PDB	External Database	Details
Met 49	-	expression tag
Ala 50	-	expression tag
Lys 51	-	expression tag
Lys 52	-	expression tag
Thr 53	-	expression tag
Thr 503	-	expression tag
His 504	-	expression tag
His 505	-	expression tag
His 506	-	expression tag
His 507	-	expression tag
His 508	-	expression tag
His 509	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	105538.9
Branched	Number of molecules	2
	Total formula weight	2306.0
Non-Polymers*	Number of molecules	4
	Total formula weight	2295.8
All*	Total formula weight	110140.8

*Water molecules are not included.