8S53

X-ray crystal structure of CYP142 from Mycobacterium tuberculosis in complex with a fragment bound in two poses

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Steroid C26-monooxygenase	polymer	418	46616.7	1	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	B, C (A)	4-benzylpyridine	non-polymer		169.2	2	Chemie (3QO)
3	D (A)	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	1	Chemie (HEM)
4	E (A)	water	water		18.0	425	Chemie (HOH)

Sequence modifications

A: 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	1
	Total formula weight	46616.7
Non-Polymers*	Number of molecules	3
	Total formula weight	954.9
All*	Total formula weight	47571.7

*Water molecules are not included.