5oeq

X-ray diffraction
2.25Å resolution

Mycobacterium tuberculosis DprE1 in complex with inhibitor TCA020

Released:
Model geometry
Fit model/data

Function and Biology Details

Reaction catalysed:
Trans,octacis-decaprenylphospho-beta-D-ribofuranose + FAD = trans,octacis-decaprenylphospho-beta-D-erythro-pentofuranosid-2-ulose + FADH(2)
Biochemical function:
Biological process:
Cellular component:

Structure analysis Details

Assembly composition:
monomeric (preferred)
PDBe Complex ID:
PDB-CPX-161687 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Decaprenylphosphoryl-beta-D-ribose oxidase Chains: A, B
Molecule details ›
Chains: A, B
Length: 477 amino acids
Theoretical weight: 52.04 KDa
Source organism: Mycobacterium tuberculosis H37Rv
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P9WJF1 (Residues: 1-461; Coverage: 100%)
Gene names: Rv3790, dprE1
Sequence domains:

Ligands and Environments


Cofactor: Ligand FAD 2 x FAD
2 bound ligands:
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: DIAMOND BEAMLINE I02
Spacegroup: P21
Unit cell:
a: 78.05Å b: 84.32Å c: 81.17Å
α: 90° β: 103.67° γ: 90°
R-values:
R R work R free
0.187 0.186 0.219
Expression system: Escherichia coli BL21(DE3)