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Structure of Anthrax Edema Factor-Calmodulin-alpha,beta-methyleneadenosine 5'-triphosphate Complex Reveals an Alternative Mode of ATP Binding to the Catalytic Site

X-ray diffraction
3Å resolution
PDB entry 1s26 coloured by chain, front view.
PDB entry 1s26 coloured by chain, side view.
PDB entry 1s26 coloured by chain, top view.
Source organisms:
Assembly composition:
hetero dimer (preferred)
Entry contents: 2 distinct polypeptide molecules

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Assemblies

Assembly 1 (preferred)
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Assembly Name: Calmodulin-1 and Calmodulin-sensitive adenylate cyclase
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Multimeric state: hetero dimer
Accessible surface area: 30395.38 Å2
Buried surface area: 6856.0 Å2
Dissociation area: 2,744.56 Å2
Dissociation energy (ΔGdiss): 27.52 kcal/mol
Dissociation entropy (TΔSdiss): 13.39 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-534416
Assembly 2
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Assembly Name: Calmodulin-1 and Calmodulin-sensitive adenylate cyclase
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Multimeric state: hetero dimer
Accessible surface area: 31803.5 Å2
Buried surface area: 5583.59 Å2
Dissociation area: 2,105.51 Å2
Dissociation energy (ΔGdiss): 22.49 kcal/mol
Dissociation entropy (TΔSdiss): 13.22 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-534416
Assembly 3
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Assembly Name: Calmodulin-1 and Calmodulin-sensitive adenylate cyclase
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Multimeric state: hetero dimer
Accessible surface area: 31620.74 Å2
Buried surface area: 6924.01 Å2
Dissociation area: 2,776.99 Å2
Dissociation energy (ΔGdiss): 29.96 kcal/mol
Dissociation entropy (TΔSdiss): 13.43 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-534416

Macromolecules

Calmodulin-sensitive adenylate cyclase
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
Pfam:
InterPro:
CATH:
SCOP: Adenylylcyclase toxin (the edema factor)
Calmodulin-sensitive adenylate cyclase in PDB entry 1s26, assembly 1, front view.
Calmodulin-sensitive adenylate cyclase in PDB entry 1s26, assembly 1, side view.
Calmodulin-sensitive adenylate cyclase in PDB entry 1s26, assembly 1, top view.
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Calmodulin-1
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
Pfam: EF-hand domain pair
InterPro:
CATH: EF-hand
SCOP: Calmodulin-like
Calmodulin-1 in PDB entry 1s26, assembly 1, front view.
Calmodulin-1 in PDB entry 1s26, assembly 1, side view.
Calmodulin-1 in PDB entry 1s26, assembly 1, top view.
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