6T0K

Crystal structure of CYP124 in complex with inhibitor carbethoxyhexyl imidazole

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 carbethoxyhexyl imidazole	polymer	435	48838.9	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	ethyl 7-imidazol-1-ylheptanoate	non-polymer		224.3	1	Chemie (M65)
4	A	GLYCEROL	non-polymer		92.1	4	Chemie (GOL)
5	A	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
6	A	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
7		water	water		18.0	665	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	9
	Total formula weight	1293.2
All*	Total formula weight	50132.2

*Water molecules are not included.