6T0F

Crystal structure of CYP124 in complex with cholest-4-en-3-one

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D	Methyl-branched lipid omega-hydroxylase	polymer	435	48869.0	4	UniProt (P9WPP3) Pfam (PF00067) In PDB	Mycobacterium tuberculosis (strain ATCC 25618 / 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 124,Steroid C26-monooxygenase,Steroid C27-monooxygenase
2	D, A, B, C	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	4	Chemie (HEM)
3	D, A, B, C	(8ALPHA,9BETA)-CHOLEST-4-EN-3-ONE	non-polymer		384.6	4	Chemie (K2B)
4	D, A, B, C	3[N-MORPHOLINO]PROPANE SULFONIC ACID	non-polymer		209.3	4	Chemie (MPO)
5	D, A, B, C	GLYCEROL	non-polymer		92.1	12	Chemie (GOL)
6	C, D, A, B	TRIETHYLENE GLYCOL	non-polymer		150.2	6	Chemie (PGE)
7		water	water		18.0	2591	Chemie (HOH)

Sequence modifications

A, B, C, D: 1 - 428 (UniProt: P9WPP3)

PDB	External Database	Details
Met -6	-	initiating methionine
His -5	-	expression tag
His -4	-	expression tag
His -3	-	expression tag
His -2	-	expression tag
His -1	-	expression tag
His 0	-	expression tag
Thr 65	Ala 65	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	195475.8
Non-Polymers*	Number of molecules	30
	Total formula weight	6847.7
All*	Total formula weight	202323.5

*Water molecules are not included.