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Crystal Structure of TNF-alpha with a small molecule inhibitor

X-ray diffraction
2.1Å resolution
PDB entry 2az5 coloured by chain, front view.
PDB entry 2az5 coloured by chain, side view.
PDB entry 2az5 coloured by chain, top view.
Source organism: Homo sapiens
Assembly composition:
homo tetramer (preferred)
Entry contents: 1 distinct polypeptide molecule

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Assemblies

Assembly 1 (preferred)
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Assembly Name: Tumor necrosis factor, soluble form
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Multimeric state: homo tetramer
Accessible surface area: 24610.87 Å2
Buried surface area: 6171.59 Å2
Dissociation area: 475.53 Å2
Dissociation energy (ΔGdiss): -10.72 kcal/mol
Dissociation entropy (TΔSdiss): 13.24 kcal/mol
Symmetry number: 2
PDBe Complex ID: PDB-CPX-134293

Macromolecules

Tumor necrosis factor, soluble form
Chains: A, B, C, D
Length: 148 amino acids
Theoretical weight: 16.41 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P01375 (Residues: 86-233; Coverage: 64%)
Gene names: TNF, TNFA, TNFSF2
Pfam: TNF(Tumour Necrosis Factor) family
InterPro:
CATH: Jelly Rolls
SCOP: TNF-like
Tumor necrosis factor, soluble form in PDB entry 2az5, assembly 1, front view.
Tumor necrosis factor, soluble form in PDB entry 2az5, assembly 1, side view.
Tumor necrosis factor, soluble form in PDB entry 2az5, assembly 1, top view.
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