4OHU

Crystal structure of Mycobacterium tuberculosis InhA in complex with inhibitor PT92

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	Enoyl-[acyl-carrier-protein] reductase [NADH]	polymer	289	30726.1	4	UniProt (P0A5Y6) Pfam (PF13561) UniProt (by SIFTS) (P9WGR1) In PDB	Mycobacterium tuberculosis	NADH-dependent enoyl-ACP reductase
2	A, B, C, D	NICOTINAMIDE-ADENINE-DINUCLEOTIDE	non-polymer		663.4	4	Chemie (NAD)
3	A, B, C, D	2-(2-bromophenoxy)-5-hexylphenol	non-polymer		349.3	4	Chemie (2TK)
4		water	water		18.0	419	Chemie (HOH)

Sequence modifications

A, B, C, D: 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	4
	Total formula weight	122904.5
Non-Polymers*	Number of molecules	8
	Total formula weight	4050.7
All*	Total formula weight	126955.3

*Water molecules are not included.