Structure analysis

Crystal structure of mutant Thioesterase PA1618 (E64A) from Pseudomonas aeruginosa

X-ray diffraction
2.299Å resolution
Source organism: Pseudomonas aeruginosa PAO1
Assembly composition:
homo dimer (preferred)
Entry contents: 1 distinct polypeptide molecule

Assemblies

Assembly 1 (preferred)
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Multimeric state: homo dimer
Accessible surface area: 13015.62 Å2
Buried surface area: 2432.69 Å2
Dissociation area: 1,216.34 Å2
Dissociation energy (ΔGdiss): 9.32 kcal/mol
Dissociation entropy (TΔSdiss): 11.95 kcal/mol
Symmetry number: 2
PDBe Complex ID: PDB-CPX-191323
Assembly 2
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Multimeric state: homo dimer
Accessible surface area: 12739.0 Å2
Buried surface area: 2545.89 Å2
Dissociation area: 1,272.94 Å2
Dissociation energy (ΔGdiss): 10.5 kcal/mol
Dissociation entropy (TΔSdiss): 11.96 kcal/mol
Symmetry number: 2
PDBe Complex ID: PDB-CPX-191323
Assembly 3
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Multimeric state: homo dimer
Accessible surface area: 12916.74 Å2
Buried surface area: 2399.28 Å2
Dissociation area: 1,199.64 Å2
Dissociation energy (ΔGdiss): 11.69 kcal/mol
Dissociation entropy (TΔSdiss): 11.93 kcal/mol
Symmetry number: 2
PDBe Complex ID: PDB-CPX-191323
Assembly 4
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Multimeric state: homo dimer
Accessible surface area: 13256.29 Å2
Buried surface area: 1709.02 Å2
Dissociation area: 854.51 Å2
Dissociation energy (ΔGdiss): 4.06 kcal/mol
Dissociation entropy (TΔSdiss): 11.67 kcal/mol
Symmetry number: 2
PDBe Complex ID: PDB-CPX-191323

Macromolecules

Chains: A, B, C, D, E, F
Length: 152 amino acids
Theoretical weight: 16.57 KDa
Source organism: Pseudomonas aeruginosa PAO1
Expression system: Escherichia coli
UniProt:
  • Canonical: Q9I3A4 (Residues: 1-144; Coverage: 99%)
Gene name: PA1618
Pfam: Thioesterase superfamily
InterPro:
CATH: Hotdog Thioesterase

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