› 1k90

X-ray diffraction
2.75Å resolution

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

Released:
DOI: 10.2210/pdb1k90/pdb
PDB entry 1k90 coloured by chain, front view.
PDB entry 1k90 coloured by chain, side view.
PDB entry 1k90 coloured by chain, top view.
Source organisms:
Primary publication:
Structural basis for the activation of anthrax adenylyl cyclase exotoxin by calmodulin.
Drum CL, Yan SZ, Bard J, Shen YQ, Lu D, Soelaiman S, Grabarek Z, Bohm A, Tang WJ
Nature 415 396-402 (2002)
PMID: 11807546

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

Assemblies composition:
hetero hexamer
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: 148 amino acids
Theoretical weight: 16.72 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: P0DP23 (Residues: 2-149; Coverage: 99%)
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 3AT 3 x 3AT
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: 116.099Å b: 166.1Å c: 343.33Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.215 0.215 0.286
Expression system: Escherichia coli BL21

Quick links

Citations

57 review citations

Calmodulin in action: diversity in target recognition and activation mechanisms.
Hoeflich et al. (2002)
56 more

18 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)
17 more