Structure analysis

Crystal structure of NDM-1 at pH8.0 (Tris) with 2 molecules per asymmetric unit

X-ray diffraction
1.15Å resolution
Source organism: Klebsiella pneumoniae
Assembly composition:
monomeric (preferred)
Entry contents: 1 distinct polypeptide molecule

Assemblies

Assembly 1
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Multimeric state: monomeric
Accessible surface area: 10549.81 Å2
Buried surface area: 322.83 Å2
Dissociation area: 79.32 Å2
Dissociation energy (ΔGdiss): 23.74 kcal/mol
Dissociation entropy (TΔSdiss): -2.35 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-111680
Assembly 2 (preferred)
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Multimeric state: monomeric
Accessible surface area: 10763.92 Å2
Buried surface area: 608.0 Å2
Dissociation area: 143.21 Å2
Dissociation energy (ΔGdiss): 1.3 kcal/mol
Dissociation entropy (TΔSdiss): 0.87 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-111680

Macromolecules

Chains: A, B
Length: 242 amino acids
Theoretical weight: 25.63 KDa
Source organism: Klebsiella pneumoniae
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: C7C422 (Residues: 29-270; Coverage: 100%)
Gene name: blaNDM-1
Pfam: Metallo-beta-lactamase superfamily
InterPro:
CATH: Ribonuclease Z/Hydroxyacylglutathione hydrolase-like
PDBe-KB: UniProt Coverage View: C7C422  
124220406080100120140160180200220240
 
100200
UniProt
C7C422
Chains
Domains
Secondary structure
Flexibility predictions
Ligand binding sites
Sequence conservation

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