4OIM

Crystal structure of Mycobacterium tuberculosis InhA in complex with inhibitor PT119 in 2.4 M acetate

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Enoyl-[acyl-carrier-protein] reductase [NADH]	polymer	289	30726.1	1	UniProt (P0A5Y6) Pfam (PF13561) UniProt (by SIFTS) (P9WGR1)	Mycobacterium tuberculosis	NADH-dependent enoyl-ACP reductase
2	B (A)	NICOTINAMIDE-ADENINE-DINUCLEOTIDE	non-polymer		663.4	1	Chemie (NAD)
3	C (A)	2-(2-CYANOPHENOXY)-5-HEXYLPHENOL	non-polymer		295.4	1	Chemie (JUS)
4	D, E, F, G, H... (A)	ACETATE ION	non-polymer		59.0	11	Chemie (ACT)
5	O (A)	water	water		18.0	75	Chemie (HOH)

Sequence modifications

A: 1 - 269 (UniProt: P0A5Y6)

PDB	External Database	Details
Met -19	-	expression tag
Gly -18	-	expression tag
Ser -17	-	expression tag
Ser -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
Ser -9	-	expression tag
Ser -8	-	expression tag
Gly -7	-	expression tag
Leu -6	-	expression tag
Val -5	-	expression tag
Pro -4	-	expression tag
Arg -3	-	expression tag
Gly -2	-	expression tag
Ser -1	-	expression tag
His 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	30726.1
Non-Polymers*	Number of molecules	13
	Total formula weight	1608.3
All*	Total formula weight	32334.4

*Water molecules are not included.