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Crystal structure of NDM-1 complexed with compound 11

X-ray diffraction
1.25Å resolution
PDB entry 6d1h coloured by chain, front view.
PDB entry 6d1h coloured by chain, side view.
PDB entry 6d1h coloured by chain, top view.
Source organism: Klebsiella pneumoniae
Assembly composition:
monomeric (preferred)
Entry contents: 1 distinct polypeptide molecule

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Assemblies

Assembly 1 (preferred)
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Assembly Name: Metallo-beta-lactamase type 2
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Multimeric state: monomeric
Accessible surface area: 9605.49 Å2
Buried surface area: 554.28 Å2
Dissociation area: 109.18 Å2
Dissociation energy (ΔGdiss): 2.07 kcal/mol
Dissociation entropy (TΔSdiss): -0.36 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-111680

Macromolecules

Metallo-beta-lactamase type 2
Chain: A
Length: 233 amino acids
Theoretical weight: 24.6 KDa
Source organism: Klebsiella pneumoniae
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: C7C422 (Residues: 42-270; Coverage: 95%)
Gene name: blaNDM-1
Pfam: Metallo-beta-lactamase superfamily
InterPro:
Metallo-beta-lactamase type 2 in PDB entry 6d1h, assembly 1, front view.
Metallo-beta-lactamase type 2 in PDB entry 6d1h, assembly 1, side view.
Metallo-beta-lactamase type 2 in PDB entry 6d1h, assembly 1, top view.
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