› 4uvi

X-ray diffraction
1.73Å resolution

Discovery of pyrimidine isoxazoles InhA in complex with compound 23

Released:
DOI: 10.2210/pdb4uvi/pdb
PDB entry 4uvi coloured by chain, front view.
PDB entry 4uvi coloured by chain, side view.
PDB entry 4uvi coloured by chain, top view.
Source organism: Mycobacterium tuberculosis H37Rv
Entry authors: Read JA, Gingell H, Madhavapeddi P, Ghorpade S, Cowan S

Function and Biology Details

Reaction catalysed: 
An acyl-[acyl-carrier protein] + NAD(+) = a trans-2,3-dehydroacyl-[acyl-carrier protein] + NADH
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-161512 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Enoyl-[acyl-carrier-protein] reductase [NADH] Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 269 amino acids
Theoretical weight: 28.55 KDa
Source organism: Mycobacterium tuberculosis H37Rv
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: P9WGR1 (Residues: 1-269; Coverage: 100%)
Gene names: MTCY277.05, Rv1484, inhA
Sequence domains: Enoyl-(Acyl carrier protein) reductase
Structure domains: NAD(P)-binding Rossmann-like Domain

Ligands and Environments


Cofactor: Ligand NAD 4 x NAD
1 bound ligand:
Ligand KXU 4 x KXU
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I04-1
Spacegroup: P21
Unit cell:
a: 65.144Å b: 111.656Å c: 67.723Å
α: 90° β: 98.62° γ: 90°
R-values:
R R work R free
0.17 0.169 0.194
Expression system: Escherichia coli BL21

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