Structure analysis

Crystal structure of TNF-alpha in complex with Infliximab Fab fragment

X-ray diffraction
2.6Å resolution
Source organism: Homo sapiens
Assemblies composition:
hetero nonamer
hetero trimer (preferred)
Entry contents: 3 distinct polypeptide molecules

Assemblies

Assembly 1
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Multimeric state: hetero nonamer
Accessible surface area: 69400 Å2
Buried surface area: 22000 Å2
Dissociation area: 3,100 Å2
Dissociation energy (ΔGdiss): -7 kcal/mol
Dissociation entropy (TΔSdiss): 43 kcal/mol
Interface energy (ΔGint): -126 kcal/mol
Symmetry number: 3
Assembly 2 (preferred)
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Multimeric state: hetero trimer
Accessible surface area: 25300 Å2
Buried surface area: 5200 Å2
Dissociation area: 1,000 Å2
Dissociation energy (ΔGdiss): 0 kcal/mol
Dissociation entropy (TΔSdiss): 13 kcal/mol
Interface energy (ΔGint): -31 kcal/mol
Symmetry number: 1

Macromolecules

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Chain: C
Length: 157 amino acids
Theoretical weight: 17.37 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P01375 (Residues: 77-233; Coverage: 67%)
Gene names: TNF, TNFA, TNFSF2
Pfam: TNF(Tumour Necrosis Factor) family
InterPro:
CATH: Jelly Rolls

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