› 1yqy

X-ray diffraction
2.3Å resolution

Structure of B. Anthrax Lethal factor in complex with a hydroxamate inhibitor

Released:
DOI: 10.2210/pdb1yqy/pdb
PDB entry 1yqy coloured by chain, front view.
PDB entry 1yqy coloured by chain, side view.
PDB entry 1yqy coloured by chain, top view.
Source organism: Bacillus anthracis
Primary publication:
Anthrax lethal factor inhibition.
Shoop WL, Xiong Y, Wiltsie J, Woods A, Guo J, Pivnichny JV, Felcetto T, Michael BF, Bansal A, Cummings RT, Cunningham BR, Friedlander AM, Douglas CM, Patel SB, Wisniewski D, Scapin G, Salowe SP, Zaller DM, Chapman KT, Scolnick EM, Schmatz DM, Bartizal K, MacCoss M, Hermes JD
Proc Natl Acad Sci U S A 102 7958-63 (2005)
PMID: 15911756

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 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: 523 amino acids
Theoretical weight: 60.84 KDa
Source organism: Bacillus anthracis
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P15917 (Residues: 297-809; Coverage: 66%)
Gene names: BXA0172, GBAA_pXO1_0172, lef, pXO1-107
Sequence domains:
Structure domains:

Ligands and Environments

2 bound ligands:
Ligand ZN 1 x ZN
Ligand 915 1 x 915
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 17-ID
Spacegroup: P212121
Unit cell:
a: 57.332Å b: 75.957Å c: 139.006Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.196 0.191 0.269
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

32 review citations

Targeting virulence: a new paradigm for antimicrobial therapy.
Clatworthy et al. (2007)
31 more

22 mentions without citation

Targeting Metalloenzymes for Therapeutic Intervention.
Chen et al. (2019)
21 more