6T0L

Crystal structure of CYP124 in complex with inhibitor compound 5'

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	CYP124 in complex with inhibitor compound 5'	polymer	435	48869.0	1	UniProt (P9WPP3) Pfam (PF00067) In PDB	Mycobacterium tuberculosis H37Rv
2	A	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	1	Chemie (HEM)
3	A	~{N}-[[[2-methyl-4-(3-methylbutyl)phenyl]amino]methyl]hydroxylamine	non-polymer		222.3	1	Chemie (M8N)
4	A	TETRAETHYLENE GLYCOL	non-polymer		194.2	2	Chemie (PG4)
5	A	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	1	Chemie (PEG)
6	A	GLYCEROL	non-polymer		92.1	1	Chemie (GOL)
7	A	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
8		water	water		18.0	380	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
Thr 65	Ala 65	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	48869.0
Non-Polymers*	Number of molecules	7
	Total formula weight	1460.9
All*	Total formula weight	50329.9

*Water molecules are not included.