Structure analysis

OXA-48 IN COMPLEX WITH COMPOUND 6a

X-ray diffraction
1.95Å resolution
Source organism: Klebsiella pneumoniae
Assembly composition:
monomeric (preferred)
Entry contents: 1 distinct polypeptide molecule

Assemblies

Assembly 1 (preferred)
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Multimeric state: monomeric
Accessible surface area: 10994.98 Å2
Buried surface area: 502.77 Å2
Dissociation area: 79.01 Å2
Dissociation energy (ΔGdiss): -2.74 kcal/mol
Dissociation entropy (TΔSdiss): 0 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-180524
Assembly 2
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Multimeric state: monomeric
Accessible surface area: 10939.06 Å2
Buried surface area: 924.94 Å2
Dissociation area: 93.58 Å2
Dissociation energy (ΔGdiss): -2.97 kcal/mol
Dissociation entropy (TΔSdiss): 0.03 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-180524
Assembly 3
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Multimeric state: monomeric
Accessible surface area: 11118.56 Å2
Buried surface area: 627.84 Å2
Dissociation area: 110.8 Å2
Dissociation energy (ΔGdiss): -3.39 kcal/mol
Dissociation entropy (TΔSdiss): 0.04 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-180524
Assembly 4
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Multimeric state: monomeric
Accessible surface area: 11073.55 Å2
Buried surface area: 626.35 Å2
Dissociation area: 106.8 Å2
Dissociation energy (ΔGdiss): -3.62 kcal/mol
Dissociation entropy (TΔSdiss): 0.02 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-180524

Macromolecules

Chains: A, B, C, D
Length: 243 amino acids
Theoretical weight: 28.23 KDa
Source organism: Klebsiella pneumoniae
Expression system: Escherichia coli
UniProt:
  • Canonical: Q6XEC0 (Residues: 23-265; Coverage: 100%)
Gene names: KPE71T_00045, OXA-48, SAMEA3727706_05517, bla OXA-48, blaOXA-48, bla_4
Pfam: Penicillin binding protein transpeptidase domain
InterPro:
CATH: DD-peptidase/beta-lactamase superfamily

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