28IR

structure of InhA from Mycobacterium tuberculosis in complex with 4-(4-((4-cyclopropyl-1H-1,2,3-triazol-1-yl)methyl)-2-hydroxyphenoxy)-3-fluorobenzaldehyde (compound 5c)

This is a non-PDB format compatible entry.

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	272	28837.1	4	UniProt (P9WGR1) Pfam (PF13561)	Mycobacterium tuberculosis	ENR,Enoyl-ACP reductase,FAS-II enoyl-ACP reductase,NADH-dependent 2-trans-enoyl-ACP 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)	4-(4-((4-cyclopropyl-1H-1,2,3-triazol-1-yl)methyl)-2-hydroxyphenoxy)-3-fluorobenzaldehyde	non-polymer		353.3	4	Chemie (A1JZB)
4	M, N, O, P (A, B, C, D)	water	water		18.0	960	Chemie (HOH)

Sequence modifications

A, B, C, D: 1 - 269 (UniProt: P9WGR1)

PDB	External Database	Details
Gly -2	-	expression tag
Ser -1	-	expression tag
His 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	115348.2
Non-Polymers*	Number of molecules	8
	Total formula weight	4067.1
All*	Total formula weight	119415.3

*Water molecules are not included.