Structure analysis

Crystal Structure of CNG mimicking NaK-ETPP mutant cocrystallized with Li+

X-ray diffraction
2.85Å resolution
Source organism: Bacillus cereus ATCC 14579
Assemblies composition:
homo octamer
homo tetramer (preferred)
Entry contents: 1 distinct polypeptide molecule

Assemblies

Assembly 1
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Multimeric state: homo octamer
Accessible surface area: 32993.21 Å2
Buried surface area: 15655.17 Å2
Dissociation area: 470.59 Å2
Dissociation energy (ΔGdiss): 2.8 kcal/mol
Dissociation entropy (TΔSdiss): 12.92 kcal/mol
Symmetry number: 8
PDBe Complex ID: PDB-CPX-182542
Assembly 2 (preferred)
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Multimeric state: homo tetramer
Accessible surface area: 16742.12 Å2
Buried surface area: 6987.59 Å2
Dissociation area: 3,272.19 Å2
Dissociation energy (ΔGdiss): 35.97 kcal/mol
Dissociation entropy (TΔSdiss): 34.59 kcal/mol
Symmetry number: 4
PDBe Complex ID: PDB-CPX-182541
Assembly 3
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Multimeric state: homo tetramer
Accessible surface area: 17341.34 Å2
Buried surface area: 7577.32 Å2
Dissociation area: 3,788.66 Å2
Dissociation energy (ΔGdiss): 37.74 kcal/mol
Dissociation entropy (TΔSdiss): 35.39 kcal/mol
Symmetry number: 4
PDBe Complex ID: PDB-CPX-182541

Macromolecules

Chains: A, B
Length: 96 amino acids
Theoretical weight: 10.63 KDa
Source organism: Bacillus cereus ATCC 14579
Expression system: Escherichia coli
UniProt:
  • Best match: Q81HW2 (Residues: 20-110)
Gene name: BC_0669

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