Structure analysis

Fragments bound to the OXA-48 beta-lactamase: Compound 17

X-ray diffraction
1.6Å resolution
Source organism: Klebsiella pneumoniae
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: 19906.49 Å2
Buried surface area: 3115.25 Å2
Dissociation area: 1,093.3 Å2
Dissociation energy (ΔGdiss): 0.63 kcal/mol
Dissociation entropy (TΔSdiss): 12.37 kcal/mol
Symmetry number: 2
PDBe Complex ID: PDB-CPX-180526
Assembly 2
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Multimeric state: homo dimer
Accessible surface area: 19674.15 Å2
Buried surface area: 3591.68 Å2
Dissociation area: 1,075.54 Å2
Dissociation energy (ΔGdiss): 2.2 kcal/mol
Dissociation entropy (TΔSdiss): 12.37 kcal/mol
Symmetry number: 2
PDBe Complex ID: PDB-CPX-180526
Assembly 3
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Multimeric state: homo dimer
Accessible surface area: 19681.15 Å2
Buried surface area: 3586.76 Å2
Dissociation area: 1,072.58 Å2
Dissociation energy (ΔGdiss): 2.06 kcal/mol
Dissociation entropy (TΔSdiss): 12.37 kcal/mol
Symmetry number: 2
PDBe Complex ID: PDB-CPX-180526

Macromolecules

Chains: A, B, C, D
Length: 265 amino acids
Theoretical weight: 30.44 KDa
Source organism: Klebsiella pneumoniae
Expression system: Escherichia coli
UniProt:
  • Canonical: Q6XEC0 (Residues: 1-265; Coverage: 100%)
Gene names: BANRA_05332, BV369_20085, GJJ01_28680, KPE71T_00045, SAMEA3729652_05148, bla OXA-48, blaOXA-48, bla_4
Pfam: Penicillin binding protein transpeptidase domain
InterPro:
CATH: DD-peptidase/beta-lactamase superfamily

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