› 1lvc

X-ray diffraction
3.6Å resolution

Crystal structure of the adenylyl cyclase domain of anthrax edema factor (EF) in complex with calmodulin and 2' deoxy, 3' anthraniloyl ATP

Released:
DOI: 10.2210/pdb1lvc/pdb
PDB entry 1lvc coloured by chain, front view.
PDB entry 1lvc coloured by chain, side view.
PDB entry 1lvc coloured by chain, top view.
Source organisms:
Primary publication:
Physiological calcium concentrations regulate calmodulin binding and catalysis of adenylyl cyclase exotoxins.
Shen Y, Lee YS, Soelaiman S, Bergson P, Lu D, Chen A, Beckingham K, Grabarek Z, Mrksich M, Tang WJ
EMBO J 21 6721-32 (2002)
PMID: 12485993

Function and Biology Details

Reaction catalysed: 
ATP = 3',5'-cyclic AMP + diphosphate
Biochemical function:
Biological process:
Cellular component:
Sequence domains:
Structure domains:

Structure analysis Details

Assembly composition:
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-143923 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Calmodulin-sensitive adenylate cyclase Chains: A, B, C
Molecule details ›
Chains: A, B, C
Length: 510 amino acids
Theoretical weight: 58.81 KDa
Source organism: Bacillus anthracis
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: P40136 (Residues: 291-800; Coverage: 67%)
Gene names: BXA0141, GBAA_pXO1_0142, cya, pXO1-122
Sequence domains:
Structure domains:
Calmodulin-1 Chains: D, E, F
Molecule details ›
Chains: D, E, F
Length: 149 amino acids
Theoretical weight: 16.85 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: P0DP23 (Residues: 1-149; Coverage: 100%)
Gene names: CALM, CALM1, CAM, CAM1
Sequence domains: EF-hand domain pair
Structure domains: EF-hand

Ligands and Environments

3 bound ligands:
Ligand YB 3 x YB
Ligand DOT 2 x DOT
Ligand CA 6 x CA
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 14-BM-C
Spacegroup: I222
Unit cell:
a: 116.924Å b: 167.918Å c: 341.743Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.281 0.281 0.307
Expression system: Escherichia coli BL21

Quick links

Citations

14 review citations

Anthrax toxin.
Collier et al. (2003)
13 more

6 mentions without citation

Molecular motions as a drug target: mechanistic simulations of anthrax toxin edema factor function led to the discovery of novel allosteric inhibitors.
Laine et al. (2012)
5 more