1. Complex: TNFα in complex with Fab of Adalimumab
Resolution: 3.1 Å
Species: H. sapiens
2. Antigen: Tumor necrosis factor alpha,TNFalpha, TNF-α, cachexin
structure length (residues): 157
mutations: No
3. Antibody: Adalimumab (Humira)
Isotype/subclass: IgG1
Structure: Fab only
3.1 Heavy chain
structure length (residues): 219
mutations: No
disulfide bridges: 22-96, 148-204
CDR (residue numbering): 31, 33, 50, 52-57, 103-105
3.2 Light chain
structure length (residues): 213
mutations: No
disulfide bridges: 23-88, 134-194
CDR (residue numbering): 1, 30-32, 91-94.
RCSB PDB - 3WD5: Crystal structure of TNFalpha in complex with Adalimumab Fab fragment
TNF-alpha in complex with Adalimumab Fab fragment (310K, 37°C, 100 ns) RMSD, SASA, RMSF, Rg, H-bonds
TNF-alpha in complex with Adalimumab Fab fragment (311K, 38°C, 100 ns) RMSD, SASA, RMSF, Rg, H-bonds
TNF-alpha in complex with Adalimumab Fab fragment (312K, 39°C, 100 ns) RMSD, SASA, RMSF, Rg, H-bonds
TNF-alpha in complex with Adalimumab Fab fragment (313K, 40°C, 100 ns) RMSD, SASA, RMSF, Rg, H-bonds
1. Complex: TNFα in complex with Fab of Infliximab
Resolution: 2.6 Å
Species: H. sapiens
2. Antigen: Tumor necrosis factor alpha,TNFalpha, TNF-α, cachexin
structure length (residues): 157
mutations: No
3. Antibody: Infliximab (chimeric)
Isotype/subclass: IgG1
Structure: Fab only
3.1 Heavy chain
structure length (residues): 226
mutations: No
disulfide bridges: 22-98, 147-203
CDR (residue numbering): 31, 33, 50, 52, 53, 55, 56, 102, 103, 105
3.2 Light chain
structure length (residues): 214
mutations: No
disulfide bridges: 23-88, 134-194
CDR (residue numbering): 50, 92-94
RCSB PDB - 4G3Y: Crystal structure of TNFalpha in complex with Infliximab Fab fragment