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Crystal structure of M. tuberculosis InhA inhibited by PT514

X-ray diffraction
2Å resolution
PDB entry 5mtp coloured by chain, front view.
PDB entry 5mtp coloured by chain, side view.
PDB entry 5mtp coloured by chain, top view.
Source organism: Mycobacterium tuberculosis CDC1551
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: 33314.71 Å2
Buried surface area: 19348.11 Å2
Dissociation area: 4,323.94 Å2
Dissociation energy (ΔGdiss): 60.37 kcal/mol
Dissociation entropy (TΔSdiss): 15.24 kcal/mol
Symmetry number: 4
PDBe Complex ID: PDB-CPX-161509
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: 33425.71 Å2
Buried surface area: 19733.81 Å2
Dissociation area: 4,279.41 Å2
Dissociation energy (ΔGdiss): 58.44 kcal/mol
Dissociation entropy (TΔSdiss): 15.22 kcal/mol
Symmetry number: 4
PDBe Complex ID: PDB-CPX-161509

Macromolecules

Enoyl-[acyl-carrier-protein] reductase [NADH]
Chains: A, B, C, D, E, F, G, H
Length: 289 amino acids
Theoretical weight: 30.73 KDa
Source organism: Mycobacterium tuberculosis CDC1551
Expression system: Escherichia coli
UniProt:
  • Canonical: P9WGR0 (Residues: 1-269; Coverage: 100%)
Gene names: MT1531, inhA
Pfam: Enoyl-(Acyl carrier protein) reductase
InterPro:
CATH: NAD(P)-binding Rossmann-like Domain
Enoyl-[acyl-carrier-protein] reductase [NADH] in PDB entry 5mtp, assembly 2, front view.
Enoyl-[acyl-carrier-protein] reductase [NADH] in PDB entry 5mtp, assembly 2, side view.
Enoyl-[acyl-carrier-protein] reductase [NADH] in PDB entry 5mtp, assembly 2, top view.
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