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Fragments bound to the OXA-48 beta-lactamase: Compound 2

X-ray diffraction
1.94Å resolution
PDB entry 5dts coloured by chain, front view.
PDB entry 5dts coloured by chain, side view.
PDB entry 5dts coloured by chain, top view.
Source organism: Klebsiella pneumoniae
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: Beta-lactamase
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Multimeric state: homo dimer
Accessible surface area: 20025.13 Å2
Buried surface area: 2019.35 Å2
Dissociation area: 1,009.67 Å2
Dissociation energy (ΔGdiss): 4.61 kcal/mol
Dissociation entropy (TΔSdiss): 12.32 kcal/mol
Symmetry number: 2
PDBe Complex ID: PDB-CPX-180526
Assembly 2
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Assembly Name: Beta-lactamase
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Multimeric state: homo dimer
Accessible surface area: 20021.12 Å2
Buried surface area: 2018.84 Å2
Dissociation area: 1,009.42 Å2
Dissociation energy (ΔGdiss): 4.63 kcal/mol
Dissociation entropy (TΔSdiss): 12.32 kcal/mol
Symmetry number: 2
PDBe Complex ID: PDB-CPX-180526
Assembly 3
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Assembly Name: Beta-lactamase
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Multimeric state: homo dimer
Accessible surface area: 20107.47 Å2
Buried surface area: 1984.18 Å2
Dissociation area: 992.09 Å2
Dissociation energy (ΔGdiss): 4.75 kcal/mol
Dissociation entropy (TΔSdiss): 12.32 kcal/mol
Symmetry number: 2
PDBe Complex ID: PDB-CPX-180526
Assembly 4
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Assembly Name: Beta-lactamase
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Multimeric state: homo dimer
Accessible surface area: 20105.05 Å2
Buried surface area: 1984.5 Å2
Dissociation area: 992.25 Å2
Dissociation energy (ΔGdiss): 4.95 kcal/mol
Dissociation entropy (TΔSdiss): 12.32 kcal/mol
Symmetry number: 2
PDBe Complex ID: PDB-CPX-180526

Macromolecules

Beta-lactamase
Chains: A, B, C, D
Length: 244 amino acids
Theoretical weight: 28.3 KDa
Source organism: Klebsiella pneumoniae
Expression system: Escherichia coli
UniProt:
  • Canonical: Q6XEC0 (Residues: 22-265; Coverage: 100%)
Gene names: AI2879V1_5232, GJJ21_26815, KPE71T_00045, SAMEA3727706_05517, bla OXA-48, blaOXA-48, bla_4
Pfam: Penicillin binding protein transpeptidase domain
InterPro:
CATH: DD-peptidase/beta-lactamase superfamily
Beta-lactamase in PDB entry 5dts, assembly 1, front view.
Beta-lactamase in PDB entry 5dts, assembly 1, side view.
Beta-lactamase in PDB entry 5dts, assembly 1, top view.
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