› 3r5l

X-ray diffraction
1.55Å resolution

Structure of Ddn, the Deazaflavin-dependent nitroreductase from Mycobacterium tuberculosis involved in bioreductive activation of PA-824

Released:
DOI: 10.2210/pdb3r5l/pdb
PDB entry 3r5l coloured by chain, front view.
PDB entry 3r5l coloured by chain, side view.
PDB entry 3r5l coloured by chain, top view.
Source organism: Mycobacterium tuberculosis
Primary publication:
Structure of Ddn, the deazaflavin-dependent nitroreductase from Mycobacterium tuberculosis involved in bioreductive activation of PA-824.
Cellitti SE, Shaffer J, Jones DH, Mukherjee T, Gurumurthy M, Bursulaya B, Boshoff HI, Choi I, Nayyar A, Lee YS, Cherian J, Niyomrattanakit P, Dick T, Manjunatha UH, Barry CE, Spraggon G, Geierstanger BH
Structure 20 101-12 (2012)
PMID: 22244759

Function and Biology Details

Biochemical function:
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-161911 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Deazaflavin-dependent nitroreductase Chain: A
Molecule details ›
Chain: A
Length: 122 amino acids
Theoretical weight: 13.81 KDa
Source organism: Mycobacterium tuberculosis
Expression system: Escherichia coli
UniProt:
  • Canonical: P9WP15 (Residues: 31-151; Coverage: 80%)
Gene names: Rv3547, ddn
Sequence domains: F420H(2)-dependent quinone reductase
Structure domains: Electron Transport, Fmn-binding Protein; Chain A

Ligands and Environments

1 bound ligand:
Ligand MES 1 x MES
1 modified residue:
Ligand MSE 2 x MSE

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 5.0.2
Spacegroup: C2221
Unit cell:
a: 67.167Å b: 71.045Å c: 50.528Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.182 0.18 0.211
Expression system: Escherichia coli

Quick links

Citations

6 review citations

Physiology, Biochemistry, and Applications of F420- and Fo-Dependent Redox Reactions.
Greening et al. (2016)
5 more

3 mentions without citation

Structure of Ddn, the deazaflavin-dependent nitroreductase from Mycobacterium tuberculosis involved in bioreductive activation of PA-824.
Cellitti et al. (2012)
2 more