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A novel mechanism for adenylyl cyclase inhibition from the crystal structure of its complex with catechol estrogen

X-ray diffraction
2.3Å resolution
PDB entry 2bw7 coloured by chain, front view.
PDB entry 2bw7 coloured by chain, side view.
PDB entry 2bw7 coloured by chain, top view.
Source organism: Arthrospira platensis
Assembly composition:
homo dimer (preferred)
Entry contents: 1 distinct polypeptide molecule

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Assemblies

Assembly 1 (preferred)
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Assembly Name: histidine kinase
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Multimeric state: homo dimer
Accessible surface area: 16664.6 Å2
Buried surface area: 6340.43 Å2
Dissociation area: 1,981.4 Å2
Dissociation energy (ΔGdiss): 8.81 kcal/mol
Dissociation entropy (TΔSdiss): 13.01 kcal/mol
Symmetry number: 2
PDBe Complex ID: PDB-CPX-128446
Assembly 2
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Assembly Name: histidine kinase
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Multimeric state: homo dimer
Accessible surface area: 16459.67 Å2
Buried surface area: 5435.09 Å2
Dissociation area: 1,988.48 Å2
Dissociation energy (ΔGdiss): 6.78 kcal/mol
Dissociation entropy (TΔSdiss): 12.98 kcal/mol
Symmetry number: 2
PDBe Complex ID: PDB-CPX-128446

Macromolecules

histidine kinase
Chains: A, B, C, D
Length: 219 amino acids
Theoretical weight: 24.19 KDa
Source organism: Arthrospira platensis
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: O32393 (Residues: 1004-1202; Coverage: 17%)
Gene name: cyaC
Pfam: Adenylate and Guanylate cyclase catalytic domain
InterPro:
CATH: Nucleotide cyclase
histidine kinase in PDB entry 2bw7, assembly 1, front view.
histidine kinase in PDB entry 2bw7, assembly 1, side view.
histidine kinase in PDB entry 2bw7, assembly 1, top view.
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