Structure analysis

Crystal structure of metallo-beta-lactamase IMP-1 in complex with a phosphonate-based inhibitor

X-ray diffraction
2Å resolution
Source organism: Serratia marcescens
Assembly composition:
monomeric (preferred)
Entry contents: 1 distinct polypeptide molecule

Assemblies

Assembly 1
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Multimeric state: monomeric
Accessible surface area: 164.83 Å2
Buried surface area: 30.81 Å2
Dissociation area: 0 Å2
Dissociation energy (ΔGdiss): 0 kcal/mol
Dissociation entropy (TΔSdiss): 0 kcal/mol
Symmetry number: 4
PDBe Complex ID: PDB-CPX-156597
Assembly 2 (preferred)
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Multimeric state: monomeric
Accessible surface area: 10286.13 Å2
Buried surface area: 469.98 Å2
Dissociation area: 82.79 Å2
Dissociation energy (ΔGdiss): -1.16 kcal/mol
Dissociation entropy (TΔSdiss): 0.02 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-156597
Assembly 3
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Multimeric state: monomeric
Accessible surface area: 10475.37 Å2
Buried surface area: 456.74 Å2
Dissociation area: 121.78 Å2
Dissociation energy (ΔGdiss): -2.76 kcal/mol
Dissociation entropy (TΔSdiss): -0.27 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-156597
Assembly 4
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Multimeric state: monomeric
Accessible surface area: 10201.5 Å2
Buried surface area: 291.73 Å2
Dissociation area: 34 Å2
Dissociation energy (ΔGdiss): 0.14 kcal/mol
Dissociation entropy (TΔSdiss): -0.27 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-156597

Macromolecules

Chains: A, B, C, D
Length: 230 amino acids
Theoretical weight: 25.29 KDa
Source organism: Serratia marcescens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P52699 (Residues: 19-246; Coverage: 100%)
Pfam: Metallo-beta-lactamase superfamily
InterPro:
CATH: Ribonuclease Z/Hydroxyacylglutathione hydrolase-like

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