4UVI

Discovery of pyrimidine isoxazoles InhA in complex with compound 23

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D (A, B, C, D)	ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH]	polymer	269	28554.8	4	UniProt (M9TGV3) Pfam (PF13561) UniProt (by SIFTS) (P9WGR1)	MYCOBACTERIUM TUBERCULOSIS	ENOYL-ACYL CARRIER PROTEIN REDUCTASE
2	E, G, I, K (A, B, C, D)	NICOTINAMIDE-ADENINE-DINUCLEOTIDE	non-polymer		663.4	4	Chemie (NAD)
3	F, H, J, L (A, B, C, D)	5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-N-[(2-methylpyridin-4-yl)methyl]-1,2-oxazole-3-carboxamide	non-polymer		369.4	4	Chemie (KXU)
4	M, N, O, P (A, B, C, D)	water	water		18.0	878	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	114219.1
Non-Polymers*	Number of molecules	8
	Total formula weight	4131.5
All*	Total formula weight	118350.6

*Water molecules are not included.