2bw7

X-ray diffraction
2.3Å resolution

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

Released:

Function and Biology Details

Reaction catalysed:
ATP = 3',5'-cyclic AMP + diphosphate
Biochemical function:
  • not assigned
Biological process:
  • not assigned
Cellular component:
  • not assigned

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Adenylate cyclase Chains: A, B, C, D
Molecule details ›
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
Sequence domains: Adenylate and Guanylate cyclase catalytic domain
Structure domains: Nucleotide cyclase

Ligands and Environments

No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS BEAMLINE X4A
Spacegroup: P21
Unit cell:
a: 53.4Å b: 70.2Å c: 106.7Å
α: 90° β: 96° γ: 90°
R-values:
R R work R free
0.207 0.207 0.257
Expression system: Escherichia coli BL21(DE3)