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Crystal structure of a novel ZEN lactonase mutant with ligand a

X-ray diffraction
1.88Å resolution
PDB entry 5xo7 coloured by chain, front view.
PDB entry 5xo7 coloured by chain, side view.
PDB entry 5xo7 coloured by chain, top view.
Source organism: Rhinocladiella mackenziei CBS 650.93
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: AB hydrolase-1 domain-containing protein
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Multimeric state: homo dimer
Accessible surface area: 20034.1 Å2
Buried surface area: 1289.38 Å2
Dissociation area: 644.69 Å2
Dissociation energy (ΔGdiss): 1.61 kcal/mol
Dissociation entropy (TΔSdiss): 12.87 kcal/mol
Symmetry number: 2
PDBe Complex ID: PDB-CPX-101107
Assembly 2
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Assembly Name: AB hydrolase-1 domain-containing protein
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Multimeric state: homo dimer
Accessible surface area: 20055.9 Å2
Buried surface area: 1283.98 Å2
Dissociation area: 641.99 Å2
Dissociation energy (ΔGdiss): 1.12 kcal/mol
Dissociation entropy (TΔSdiss): 12.87 kcal/mol
Symmetry number: 2
PDBe Complex ID: PDB-CPX-101107
Assembly 3
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Assembly Name: AB hydrolase-1 domain-containing protein
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Multimeric state: homo dimer
Accessible surface area: 19695.52 Å2
Buried surface area: 1243.44 Å2
Dissociation area: 621.72 Å2
Dissociation energy (ΔGdiss): 2.91 kcal/mol
Dissociation entropy (TΔSdiss): 12.86 kcal/mol
Symmetry number: 2
PDBe Complex ID: PDB-CPX-101107
Assembly 4
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Assembly Name: AB hydrolase-1 domain-containing protein
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Multimeric state: homo dimer
Accessible surface area: 19820.46 Å2
Buried surface area: 1267.21 Å2
Dissociation area: 633.61 Å2
Dissociation energy (ΔGdiss): 2.29 kcal/mol
Dissociation entropy (TΔSdiss): 12.86 kcal/mol
Symmetry number: 2
PDBe Complex ID: PDB-CPX-101107

Macromolecules

AB hydrolase-1 domain-containing protein
Chains: A, B, C, D, E, F, G, H
Length: 266 amino acids
Theoretical weight: 29.45 KDa
Source organism: Rhinocladiella mackenziei CBS 650.93
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: A0A0D2ILK1 (Residues: 1-266; Coverage: 100%)
Gene name: Z518_04590
Pfam: alpha/beta hydrolase fold
InterPro:
AB hydrolase-1 domain-containing protein in PDB entry 5xo7, assembly 1, front view.
AB hydrolase-1 domain-containing protein in PDB entry 5xo7, assembly 1, side view.
AB hydrolase-1 domain-containing protein in PDB entry 5xo7, assembly 1, top view.
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