8SS0

Human sterol 14 alpha-demethylase (CYP51) in complex with the reaction intermediate 14 alpha-aldehyde dihydrolanosterol

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Lanosterol 14-alpha demethylase	polymer	458	52359.1	2	UniProt (Q16850) Pfam (PF00067)	Homo sapiens (human)	LDM,CYPLI,Cytochrome P450 51A1,CYP51A1,Cytochrome P450-14DM,Cytochrome P45014DM,Cytochrome P450LI,Sterol 14-alpha demethylase
2	C, E (A, B)	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	2	Chemie (HEM)
3	D, F (A, B)	3beta-hydroxy-10alpha,13alpha-lanosta-8,24-dien-30-al	non-polymer		440.7	2	Chemie (WQR)
4	G, H (A, B)	water	water		18.0	107	Chemie (HOH)

Sequence modifications

A, B: 61 - 503 (UniProt: Q16850)

PDB	External Database	Details
Met 50	-	expression tag
Ala 51	-	expression tag
Lys 52	-	expression tag
Lys 53	-	expression tag
Thr 54	-	expression tag
Ser 55	-	expression tag
Ser 56	-	expression tag
Lys 57	-	expression tag
Gly 58	-	expression tag
Lys 59	-	expression tag
Leu 60	-	expression tag
Ala 231	Asp 237	engineered mutation
Ala 314	His 320	engineered mutation
His 504	-	expression tag
His 505	-	expression tag
His 506	-	expression tag
His 507	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	104718.2
Non-Polymers*	Number of molecules	4
	Total formula weight	2114.4
All*	Total formula weight	106832.6

*Water molecules are not included.