› 2w5u

X-ray diffraction
2.62Å resolution

Flavodoxin from Helicobacter pylori in complex with the C3 inhibitor

Released:
DOI: 10.2210/pdb2w5u/pdb
PDB entry 2w5u coloured by chain, front view.
PDB entry 2w5u coloured by chain, side view.
PDB entry 2w5u coloured by chain, top view.
Source organism: Helicobacter pylori
Primary publication:
Discovery of specific flavodoxin inhibitors as potential therapeutic agents against Helicobacter pylori infection.
Cremades N, Velázquez-Campoy A, Martínez-Júlvez M, Neira JL, Pérez-Dorado I, Hermoso J, Jiménez P, Lanas A, Hoffman PS, Sancho J
ACS Chem Biol 4 928-38 (2009)
PMID: 19725577

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-127786 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Flavodoxin Chains: A, B
Molecule details ›
Chains: A, B
Length: 164 amino acids
Theoretical weight: 17.54 KDa
Source organism: Helicobacter pylori
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: O25776 (Residues: 1-164; Coverage: 100%)
Gene names: HP_1161, fldA
Sequence domains: Flavodoxin
Structure domains: Rossmann fold

Ligands and Environments

2 bound ligands:
Ligand FMN 2 x FMN
Ligand IC3 1 x IC3
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: BRUKER AXS MICROSTAR
Spacegroup: P21
Unit cell:
a: 38.533Å b: 50.967Å c: 72.806Å
α: 90° β: 98.64° γ: 90°
R-values:
R R work R free
0.227 0.227 0.264
Expression system: Escherichia coli BL21

Quick links

Citations

7 review citations

Superoxide dismutase mimics: chemistry, pharmacology, and therapeutic potential.
Batinić-Haberle et al. (2010)
6 more

3 mentions without citation

Parallel Generalized Born Implicit Solvent Calculations with NAMD.
Tanner et al. (2011)
2 more