1. Complex: CTLA-4 in complex with VH domain of 4003-1 mAb 

• CATH

• Resolution: 2.3 Å

• Species: H. sapiens

2. Antigen: Cytotoxic T-lymphocyte-associated protein 4, CTLA-4, cluster of differentiation 152, CD152

• structure length (residues): 118

• mutations: No

• Uniprot

3. Antibody: 4003-1 mAb  (Heavy chain only)

• Isotype/subclass: IgG1

• Structure: Fab only

• structure length (residues): 120

• mutations: No

• disulfide bridges: 23-96

• CDR (residue numbering): 15, 17, 42, 50, 66, 80

RCSB PDB - 7DV4: Crystal structure of anti-CTLA-4 VH domain in complex with human CTLA-4 

CTLA-4 in complex with 4003-1 antibody (310K, 37°C, 500 ns) >> RMSD, SASA, RMSF, Rg, H-bonds, Free binding energy calculations

CTLA-4 in complex with 4003-1 antibody (311K, 38°C, 500 ns) >> RMSD, SASA, RMSF, Rg, H-bonds, Free binding energy calculations

CTLA-4 in complex with 4003-1 antibody (312K, 39°C, 500 ns) >> RMSD, SASA, RMSF, Rg, H-bonds, Free binding energy calculations

CTLA-4 in complex with 4003-1 antibody (313K, 40°C, 500 ns) >> RMSD, SASA, RMSF, Rg, H-bonds, Free binding energy calculations