› 4ff6

X-ray diffraction
2.6Å resolution

Mycobacterium tuberculosis DprE1 in complex with CT325 - monoclinic crystal form

Released:
DOI: 10.2210/pdb4ff6/pdb
PDB entry 4ff6 coloured by chain, front view.
PDB entry 4ff6 coloured by chain, side view.
PDB entry 4ff6 coloured by chain, top view.
Source organism: Mycobacterium tuberculosis
Primary publication:
Structural basis of inhibition of Mycobacterium tuberculosis DprE1 by benzothiazinone inhibitors.
Batt SM, Jabeen T, Bhowruth V, Quill L, Lund PA, Eggeling L, Alderwick LJ, Fütterer K, Besra GS
Proc Natl Acad Sci U S A 109 11354-9 (2012)
PMID: 22733761

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:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
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: 481 amino acids
Theoretical weight: 52.39 KDa
Source organism: Mycobacterium tuberculosis
Expression system: Escherichia coli
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:
Ligand 0T4 2 x 0T4
Ligand IMD 3 x IMD
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU MICROMAX-007 HF
Spacegroup: P21
Unit cell:
a: 78.26Å b: 84.53Å c: 80.85Å
α: 90° β: 103.54° γ: 90°
R-values:
R R work R free
0.196 0.193 0.244
Expression system: Escherichia coli

Quick links

Citations

29 review citations

Advances in the development of new tuberculosis drugs and treatment regimens.
Zumla et al. (2013)
28 more

3 mentions without citation

Structural basis of inhibition of Mycobacterium tuberculosis DprE1 by benzothiazinone inhibitors.
Batt et al. (2012)
2 more