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

X-ray diffraction
2.6Å resolution
PDB entry 4g3y coloured by chain, front view.
PDB entry 4g3y coloured by chain, side view.
PDB entry 4g3y coloured by chain, top view.
Source organism: Homo sapiens
Assemblies composition:
hetero nonamer
hetero trimer (preferred)
Entry contents: 3 distinct polypeptide molecules

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Assemblies

Assembly 1
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Assembly Name: Soluble tumor necrosis factor complex and antibody
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Multimeric state: hetero nonamer
Accessible surface area: 69399.22 Å2
Buried surface area: 22040.78 Å2
Dissociation area: 3,137.98 Å2
Dissociation energy (ΔGdiss): -9.21 kcal/mol
Dissociation entropy (TΔSdiss): 43.42 kcal/mol
Symmetry number: 3
PDBe Complex ID: PDB-CPX-208422
Assembly 2 (preferred)
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Assembly Name: Tumor necrosis factor, soluble form and IG-light kappa chain and IG-heavy chain
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Multimeric state: hetero trimer
Accessible surface area: 25295.39 Å2
Buried surface area: 5197.41 Å2
Dissociation area: 988.92 Å2
Dissociation energy (ΔGdiss): -0.59 kcal/mol
Dissociation entropy (TΔSdiss): 12.51 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-208419

Macromolecules

infliximab Fab L
Chain: L
Length: 214 amino acids
Theoretical weight: 23.46 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
InterPro:
CATH: Immunoglobulins
infliximab Fab L in PDB entry 4g3y, assembly 2, front view.
infliximab Fab L in PDB entry 4g3y, assembly 2, side view.
infliximab Fab L in PDB entry 4g3y, assembly 2, top view.
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infliximab Fab H
Chain: H
Length: 226 amino acids
Theoretical weight: 24.36 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
InterPro:
CATH: Immunoglobulins
infliximab Fab H in PDB entry 4g3y, assembly 2, front view.
infliximab Fab H in PDB entry 4g3y, assembly 2, side view.
infliximab Fab H in PDB entry 4g3y, assembly 2, top view.
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Tumor necrosis factor, soluble form
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
Tumor necrosis factor, soluble form in PDB entry 4g3y, assembly 2, front view.
Tumor necrosis factor, soluble form in PDB entry 4g3y, assembly 2, side view.
Tumor necrosis factor, soluble form in PDB entry 4g3y, assembly 2, top view.
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