8A6W

Crystal structure of CYP142 from Mycobacterium tuberculosis in complex with cholestenone

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (B, E)	Steroid C26-monooxygenase	polymer	418	46616.7	2	UniProt (P9WPL5) Pfam (PF00067)	Mycobacterium tuberculosis H37Rv	Cholest-4-en-3-one C26-monooxygenase,Cholest-4-en-3-one C26-monooxygenase [(25R)-3-oxocholest-4-en-26-oate forming],Cholesterol C26-monooxygenase,Cholesterol C26-monooxygenase [(25R)-3beta-hydroxycholest-5-en-26-oate forming],Cytochrome P450 142,Steroid C27-monooxygenase
2	C, E (B, E)	(8ALPHA,9BETA)-CHOLEST-4-EN-3-ONE	non-polymer		384.6	2	Chemie (K2B)
3	D, F (B, E)	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	2	Chemie (HEM)
4	G, H (B, E)	water	water		18.0	502	Chemie (HOH)

Sequence modifications

B, E: 1 - 398 (UniProt: P9WPL5)

PDB	External Database	Details
Met -19	-	initiating methionine
Gly -18	-	expression tag
Ser -17	-	expression tag
Ser -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
Ser -9	-	expression tag
Ser -8	-	expression tag
Gly -7	-	expression tag
Leu -6	-	expression tag
Val -5	-	expression tag
Pro -4	-	expression tag
Arg -3	-	expression tag
Gly -2	-	expression tag
Ser -1	-	expression tag
His 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	93233.5
Non-Polymers*	Number of molecules	4
	Total formula weight	2002.3
All*	Total formula weight	95235.7

*Water molecules are not included.