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Re-refinement of PDB entry 1OSG - Complex between BAFF and a BR3 derived peptide presented in a beta-hairpin scaffold - reveals an additonal copy of the peptide.

X-ray diffraction
3Å resolution
PDB 3v56 coloured by chain and viewed from the front.
PDB 3v56 coloured by chain and viewed from the side.
PDB 3v56 coloured by chain and viewed from the top.
Source organism: Homo sapiens
Assemblies composition:
Non-polymer only hexamer (preferred)
monomeric
Entry contents: 2 distinct polypeptide molecules

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Assemblies

Assembly 1 (preferred)
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Multimeric state: Non-polymer only hexamer
Accessible surface area: 18000 Å2
Buried surface area: 9100 Å2
Dissociation area: 1,300 Å2
Dissociation energy (ΔGdiss): 0 kcal/mol
Dissociation entropy (TΔSdiss): 23 kcal/mol
Interface energy (ΔGint): -51 kcal/mol
Symmetry number: 3
Assembly 2
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Multimeric state: Non-polymer only hexamer
Accessible surface area: 18100 Å2
Buried surface area: 9000 Å2
Dissociation area: 1,400 Å2
Dissociation energy (ΔGdiss): -1 kcal/mol
Dissociation entropy (TΔSdiss): 23 kcal/mol
Interface energy (ΔGint): -50 kcal/mol
Symmetry number: 3
Assembly 3
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Multimeric state: monomeric
Accessible surface area: 1200 Å2
Buried surface area: 100 Å2
Dissociation area: 50 Å2
Dissociation energy (ΔGdiss): 2 kcal/mol
Dissociation entropy (TΔSdiss): -3 kcal/mol
Interface energy (ΔGint): 0 kcal/mol
Symmetry number: 1

Macromolecules

Tumor necrosis factor ligand superfamily member 13b, membrane form
Chains: A, B, C, D, E, F
Length: 208 amino acids
Theoretical weight: 22.75 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q9Y275 (Residues: 82-285; Coverage: 72%)
Gene names: BAFF, BLYS, TALL1, TNFSF13B, TNFSF20, UNQ401/PRO738, ZTNF4
Pfam: TNF(Tumour Necrosis Factor) family
InterPro:
CATH: Jelly Rolls
PDB 3v56 contains 3 copies of Tumor necrosis factor ligand superfamily member 13b, membrane form in assembly 1. This protein is highlighted and viewed from the front.
PDB 3v56 contains 3 copies of Tumor necrosis factor ligand superfamily member 13b, membrane form in assembly 1. This protein is highlighted and viewed from the side.
PDB 3v56 contains 3 copies of Tumor necrosis factor ligand superfamily member 13b, membrane form in assembly 1. This protein is highlighted and viewed from the top.
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Tumor necrosis factor receptor superfamily member 13C
Chains: G, H, I, J, K, L, Z
Length: 14 amino acids
Theoretical weight: 1.59 KDa
Source organism: Homo sapiens
Expression system: Not provided
UniProt:
  • Canonical: Q96RJ3 (Residues: 24-24, 25-35; Coverage: 6%)
Gene names: BAFFR, BR3, TNFRSF13C
PDB 3v56 contains 3 copies of Tumor necrosis factor receptor superfamily member 13C in assembly 1. This protein is highlighted and viewed from the front.
PDB 3v56 contains 3 copies of Tumor necrosis factor receptor superfamily member 13C in assembly 1. This protein is highlighted and viewed from the side.
PDB 3v56 contains 3 copies of Tumor necrosis factor receptor superfamily member 13C in assembly 1. This protein is highlighted and viewed from the top.
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