4p8h

X-ray diffraction
3Å resolution

Crystal structure of M. tuberculosis DprE1 in complex with the nitro-benzothiazole 6a

Released:
Entry authors: Neres J, Cole ST

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:
Cellular component:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Decaprenylphosphoryl-beta-D-ribose oxidase Chains: A, B
Molecule details ›
Chains: A, B
Length: 481 amino acids
Theoretical weight: 52.39 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
1 bound ligand:
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X06DA
Spacegroup: P21
Unit cell:
a: 72.045Å b: 77.297Å c: 81.209Å
α: 90° β: 100.31° γ: 90°
R-values:
R R work R free
0.243 0.239 0.307
Expression system: Escherichia coli BL21(DE3)