› 4pkw

X-ray diffraction
1.75Å resolution

Anthrax toxin lethal factor with bound small molecule inhibitor GM6001

Released:
DOI: 10.2210/pdb4pkw/pdb
PDB entry 4pkw coloured by chain, front view.
PDB entry 4pkw coloured by chain, side view.
PDB entry 4pkw coloured by chain, top view.
Source organism: Bacillus anthracis
Primary publication:
Anthrax toxin lethal factor domain 3 is highly mobile and responsive to ligand binding.
Maize KM, Kurbanov EK, De La Mora-Rey T, Geders TW, Hwang DJ, Walters MA, Johnson RL, Amin EA, Finzel BC
Acta Crystallogr D Biol Crystallogr 70 2813-22 (2014)
PMID: 25372673

Function and Biology Details

Reaction catalysed: 
Preferred amino acids around the cleavage site can be denoted BBBBxHx-|-H, in which B denotes Arg or Lys, H denotes a hydrophobic amino acid, and x is any amino acid. The only known protein substrates are mitogen-activated protein (MAP) kinase kinases.
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-147525 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Lethal factor Chain: A
Molecule details ›
Chain: A
Length: 519 amino acids
Theoretical weight: 60.44 KDa
Source organism: Bacillus anthracis
Expression system: Escherichia coli
UniProt:
  • Canonical: P15917 (Residues: 298-809; Coverage: 66%)
Gene names: BXA0172, GBAA_pXO1_0172, lef, pXO1-107
Sequence domains:
Structure domains:

Ligands and Environments

4 bound ligands:
Ligand ZN 1 x ZN
Ligand GM6 1 x GM6
Ligand GOL 2 x GOL
Ligand EDO 2 x EDO
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 17-ID
Spacegroup: P212121
Unit cell:
a: 51.427Å b: 82.42Å c: 130.55Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.179 0.177 0.207
Expression system: Escherichia coli

Quick links

Citations

1 review citation

Inhibitors of the Metalloproteinase Anthrax Lethal Factor.
Goldberg et al. (2016)
3 other articles

2 mentions without citation

Selective function-blocking monoclonal human antibody highlights the important role of membrane type-1 matrix metalloproteinase (MT1-MMP) in metastasis.
Remacle et al. (2017)
1 more