› 1sk6

X-ray diffraction
3.2Å resolution

Crystal structure of the adenylyl cyclase domain of anthrax edema factor (EF) in complex with calmodulin, 3',5' cyclic AMP (cAMP), and pyrophosphate

Released:
DOI: 10.2210/pdb1sk6/pdb
PDB entry 1sk6 coloured by chain, front view.
PDB entry 1sk6 coloured by chain, side view.
PDB entry 1sk6 coloured by chain, top view.
Source organisms:
Primary publication:
Structural and kinetic analyses of the interaction of anthrax adenylyl cyclase toxin with reaction products cAMP and pyrophosphate.
Guo Q, Shen Y, Zhukovskaya NL, Florián J, Tang WJ
J Biol Chem 279 29427-35 (2004)
PMID: 15131111

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-534416 (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
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
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

4 bound ligands:
Ligand YB 9 x YB
Ligand CMP 3 x CMP
Ligand POP 3 x POP
Ligand CA 6 x CA
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 19-ID
Spacegroup: I222
Unit cell:
a: 116.87Å b: 166.453Å c: 342.393Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.251 0.25 0.307
Expression system: Escherichia coli

Quick links

Citations

9 review citations

Molecular details of cAMP generation in mammalian cells: a tale of two systems.
Kamenetsky et al. (2006)
8 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