Structure analysis

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
Source organism: Homo sapiens
Assemblies composition:
Non-polymer only hexamer (preferred)
monomeric
Entry contents: 2 distinct polypeptide molecules

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

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

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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

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