Structure analysis

Crystal structure of the substrate binding domain of E.coli DnaK in complex with metchnikowin (residues 20 to 26)

X-ray diffraction
1.9Å resolution
Assemblies composition:
hetero octamer
hetero tetramer
hetero dimer (preferred)
Entry contents: 2 distinct polypeptide molecules

Assemblies

Assembly 1
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Multimeric state: hetero octamer
Accessible surface area: 36880.04 Å2
Buried surface area: 18583.73 Å2
Dissociation area: 2,944.91 Å2
Dissociation energy (ΔGdiss): 29.36 kcal/mol
Dissociation entropy (TΔSdiss): 16.73 kcal/mol
Symmetry number: 4
PDBe Complex ID: PDB-CPX-141492
Assembly 2
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Multimeric state: hetero tetramer
Accessible surface area: 20803.05 Å2
Buried surface area: 6928.84 Å2
Dissociation area: 2,137.62 Å2
Dissociation energy (ΔGdiss): 7.83 kcal/mol
Dissociation entropy (TΔSdiss): 13.59 kcal/mol
Symmetry number: 2
PDBe Complex ID: PDB-CPX-141481
Assembly 3
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Multimeric state: hetero tetramer
Accessible surface area: 23143.25 Å2
Buried surface area: 4596.68 Å2
Dissociation area: 1,208.24 Å2
Dissociation energy (ΔGdiss): 5.68 kcal/mol
Dissociation entropy (TΔSdiss): 13.53 kcal/mol
Symmetry number: 2
PDBe Complex ID: PDB-CPX-141481
Assembly 4
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Multimeric state: hetero tetramer
Accessible surface area: 23307.02 Å2
Buried surface area: 4424.86 Å2
Dissociation area: 868.9 Å2
Dissociation energy (ΔGdiss): 5.73 kcal/mol
Dissociation entropy (TΔSdiss): 13.19 kcal/mol
Symmetry number: 2
PDBe Complex ID: PDB-CPX-141481
Assembly 5 (preferred)
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Multimeric state: hetero dimer
Accessible surface area: 12520.2 Å2
Buried surface area: 1349.76 Å2
Dissociation area: 604.12 Å2
Dissociation energy (ΔGdiss): 2.85 kcal/mol
Dissociation entropy (TΔSdiss): 6.76 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-141463

Macromolecules

Chain: A
Length: 219 amino acids
Theoretical weight: 23.82 KDa
Source organism: Escherichia coli K-12
Expression system: Escherichia coli
UniProt:
  • Canonical: P0A6Y8 (Residues: 389-607; Coverage: 34%)
Gene names: JW0013, b0014, dnaK, groP, grpF, seg
Pfam: Hsp70 protein
InterPro:
CATH:

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Chain: B
Length: 8 amino acids
Theoretical weight: 963 Da
Source organism: Drosophila melanogaster
Expression system: Not provided
UniProt:
  • Canonical: Q24395 (Residues: 46-52; Coverage: 25%)
Gene names: CG8175, Mtk

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