5LI7

Crystal structure of Mycobacterium tuberculosis CYP126A1 in complex with 1-(3-(1H-imidazol-1-yl)propyl)-3-((3s,5s,7s)-adamantan-1-yl)urea

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Putative cytochrome P450 126	polymer	414	46010.9	2	UniProt (P9WPN8) Pfam (PF00067)	Mycobacterium tuberculosis (strain CDC 1551 / Oshkosh)
2	C, E (A, B)	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	2	Chemie (HEM)
3	D, F (A, B)	1-(1-adamantyl)-3-(3-imidazol-1-ylpropyl)urea	non-polymer		302.4	2	Chemie (6XD)
4	G, H (A, B)	water	water		18.0	998	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	92021.8
Non-Polymers*	Number of molecules	4
	Total formula weight	1837.8
All*	Total formula weight	93859.6

*Water molecules are not included.