5LI6

Crystal structure of Mycobacterium tuberculosis CYP126A1 in complex with N-isopropyl-N-((3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl)methyl)-2-(4-nitrophenyl)acetamide

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Putative cytochrome P450 126	polymer	414	46010.9	2	UniProt (P9WPN8) Pfam (PF00067) In PDB	Mycobacterium tuberculosis (strain CDC 1551 / Oshkosh)
2	A, B	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	2	Chemie (HEM)
3	A, B	~{N}-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-nitrophenyl)-~{N}-propan-2-yl-ethanamide	non-polymer		410.4	2	Chemie (6XF)
4		water	water		18.0	872	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	2053.8
All*	Total formula weight	94075.6

*Water molecules are not included.