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Crystal structure of Mycobacterium tuberculosis enoyl reductase (InhA) inhibited by 5-octyl-2-phenoxyphenol

X-ray diffraction
2.6Å resolution
PDB entry 2b37 coloured by chain, front view.
PDB entry 2b37 coloured by chain, side view.
PDB entry 2b37 coloured by chain, top view.
Source organism: Mycobacterium tuberculosis
Assembly composition:
homo tetramer (preferred)
Entry contents: 1 distinct polypeptide molecule

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Assemblies

Assembly 1
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Assembly Name: Enoyl-[acyl-carrier-protein] reductase [NADH]
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Multimeric state: homo tetramer
Accessible surface area: 33844.68 Å2
Buried surface area: 18932.62 Å2
Dissociation area: 4,204.01 Å2
Dissociation energy (ΔGdiss): 55.74 kcal/mol
Dissociation entropy (TΔSdiss): 15.09 kcal/mol
Symmetry number: 4
PDBe Complex ID: PDB-CPX-161512
Assembly 2 (preferred)
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Assembly Name: Enoyl-[acyl-carrier-protein] reductase [NADH]
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Multimeric state: homo tetramer
Accessible surface area: 34167.09 Å2
Buried surface area: 22741.3 Å2
Dissociation area: 4,512.71 Å2
Dissociation energy (ΔGdiss): 60.5 kcal/mol
Dissociation entropy (TΔSdiss): 15.25 kcal/mol
Symmetry number: 4
PDBe Complex ID: PDB-CPX-161512

Macromolecules

Enoyl-[acyl-carrier-protein] reductase [NADH]
Chains: A, B, C, D, E, F
Length: 269 amino acids
Theoretical weight: 28.55 KDa
Source organism: Mycobacterium tuberculosis
Expression system: Escherichia coli
UniProt:
  • Best match: P9WGR1 (Residues: 1-269)
Gene names: MTCY277.05, Rv1484, inhA
Enoyl-[acyl-carrier-protein] reductase [NADH] in PDB entry 2b37, assembly 2, front view.
Enoyl-[acyl-carrier-protein] reductase [NADH] in PDB entry 2b37, assembly 2, side view.
Enoyl-[acyl-carrier-protein] reductase [NADH] in PDB entry 2b37, assembly 2, top view.
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