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AmpC beta-lactamase in complex with Fragment-based Inhibitor

X-ray diffraction
1.8Å resolution
PDB entry 3gqz coloured by chain, front view.
PDB entry 3gqz coloured by chain, side view.
PDB entry 3gqz coloured by chain, top view.
Source organism: Escherichia coli K-12
Assembly composition:
monomeric (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: monomeric
Accessible surface area: 14667.55 Å2
Buried surface area: 417.03 Å2
Dissociation area: 79.45 Å2
Dissociation energy (ΔGdiss): -2.51 kcal/mol
Dissociation entropy (TΔSdiss): 0.22 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-133599
Assembly 2
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Assembly Name: Beta-lactamase
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Multimeric state: monomeric
Accessible surface area: 14857.71 Å2
Buried surface area: 0.0 Å2
Dissociation area: 0 Å2
Dissociation energy (ΔGdiss): 0 kcal/mol
Dissociation entropy (TΔSdiss): 0 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-133599

Macromolecules

Beta-lactamase
Chains: A, B
Length: 358 amino acids
Theoretical weight: 39.59 KDa
Source organism: Escherichia coli K-12
Expression system: Escherichia coli
UniProt:
  • Canonical: P00811 (Residues: 20-377; Coverage: 100%)
Gene names: JW4111, ampA, ampC, b4150
Pfam: Beta-lactamase
InterPro:
CATH: DD-peptidase/beta-lactamase superfamily
Beta-lactamase in PDB entry 3gqz, assembly 1, front view.
Beta-lactamase in PDB entry 3gqz, assembly 1, side view.
Beta-lactamase in PDB entry 3gqz, assembly 1, top view.
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