6T0J

Crystal structure of CYP124 in complex with SQ109

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Methyl-branched lipid omega-hydroxylase	polymer	435	48838.9	1	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	A	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	1	Chemie (HEM)
3	A	N-[(2Z)-3,7-dimethylocta-2,6-dien-1-yl]-N'-[(1R,3S,5R,7R)-tricyclo[3.3.1.1~3,7~]dec-2-yl]ethane-1,2-diamine	non-polymer		330.6	1	Chemie (RWZ)
4	A	GLYCEROL	non-polymer		92.1	4	Chemie (GOL)
5	A	2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL	non-polymer		122.1	1	Chemie (TRS)
6	A	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
7	A	FORMIC ACID	non-polymer		46.0	4	Chemie (FMT)
8		water	water		18.0	748	Chemie (HOH)

Sequence modifications

A: 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

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	48838.9
Non-Polymers*	Number of molecules	13
	Total formula weight	1670.3
All*	Total formula weight	50509.2

*Water molecules are not included.