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Human beta-defensin-1 (Mutant Lys22Glu)

X-ray diffraction
1.65Å resolution
PDB entry 2nlg coloured by chain, front view.
PDB entry 2nlg coloured by chain, side view.
PDB entry 2nlg coloured by chain, top view.
Source organism: Homo sapiens
Assemblies composition:
monomeric (preferred)
homo tetramer
homo dimer
Entry contents: 1 distinct polypeptide molecule

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Assemblies

Assembly 1 (preferred)
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Assembly Name: Beta-defensin 1
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Multimeric state: monomeric
Accessible surface area: 2773.73 Å2
Buried surface area: 216.64 Å2
Dissociation area: 108.32 Å2
Dissociation energy (ΔGdiss): 17.23 kcal/mol
Dissociation entropy (TΔSdiss): 0.55 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-157949
Assembly 2
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Assembly Name: Beta-defensin 1
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Multimeric state: monomeric
Accessible surface area: 2813.83 Å2
Buried surface area: 362.06 Å2
Dissociation area: 73.38 Å2
Dissociation energy (ΔGdiss): 11.39 kcal/mol
Dissociation entropy (TΔSdiss): 0.56 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-157949
Assembly 3
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Assembly Name: Beta-defensin 1
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Multimeric state: monomeric
Accessible surface area: 2879.24 Å2
Buried surface area: 492.07 Å2
Dissociation area: 63.09 Å2
Dissociation energy (ΔGdiss): 8.53 kcal/mol
Dissociation entropy (TΔSdiss): 0.56 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-157949
Assembly 4
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Assembly Name: Beta-defensin 1
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Multimeric state: monomeric
Accessible surface area: 2844.37 Å2
Buried surface area: 318.89 Å2
Dissociation area: 47.61 Å2
Dissociation energy (ΔGdiss): 5.67 kcal/mol
Dissociation entropy (TΔSdiss): 0.53 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-157949
Assembly 5
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Assembly Name: Beta-defensin 1
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Multimeric state: homo tetramer
Accessible surface area: 9023.43 Å2
Buried surface area: 3677.4 Å2
Dissociation area: 394.23 Å2
Dissociation energy (ΔGdiss): 11.79 kcal/mol
Dissociation entropy (TΔSdiss): 9.38 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-157952
Assembly 6
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Assembly Name: Beta-defensin 1
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Multimeric state: homo dimer
Accessible surface area: 4866.6 Å2
Buried surface area: 1667.97 Å2
Dissociation area: 446.86 Å2
Dissociation energy (ΔGdiss): 15.02 kcal/mol
Dissociation entropy (TΔSdiss): 8.69 kcal/mol
Symmetry number: 2
PDBe Complex ID: PDB-CPX-157950
Assembly 7
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Assembly Name: Beta-defensin 1
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Multimeric state: homo dimer
Accessible surface area: 4836.89 Å2
Buried surface area: 1329.36 Å2
Dissociation area: 386.14 Å2
Dissociation energy (ΔGdiss): 8.05 kcal/mol
Dissociation entropy (TΔSdiss): 8.6 kcal/mol
Symmetry number: 2
PDBe Complex ID: PDB-CPX-157950

Macromolecules

Beta-defensin 1
Chains: A, B, C, D
Length: 36 amino acids
Theoretical weight: 3.94 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P60022 (Residues: 33-68; Coverage: 77%)
Gene names: BD1, DEFB1, HBD1
Pfam: Beta defensin
InterPro: Beta defensin type
Beta-defensin 1 in PDB entry 2nlg, assembly 1, front view.
Beta-defensin 1 in PDB entry 2nlg, assembly 1, side view.
Beta-defensin 1 in PDB entry 2nlg, assembly 1, top view.
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