1. Complex: Autoantibody ACPA E4 in complex with CII-C-13-CIT peptide 

• CATH

• Resolution: 1.75 Å

• Species: H. sapiens

2. Antigen: Type II collagen citrullinated peptide,CII-C-13-CIT peptide, 1CPAGEEGKXGARGEPGCA18 

• structure length (residues): 18

• mutations: No

• Uniprot

3. Antibody: Autoantibody ACPA E4

• Class: IgG

• Structure: Fab only.

3.1 Heavy chain 

• structure length (residues): 221

• mutations: No

• disulfide bridges: 22-96, 147-202

• CDR (residue numbering): 34, 48, 51, 55, 57, 59, 99

3.2 Light chain

• structure length (residues): 217

• mutations: No

• disulfide bridges: 22-89, 137-197

• CDR (residue numbering): 31-33, 52, 92, 99, 105

RCSB PDB - 5OCX: Crystal structure of ACPA E4 in complex with CII-C-13-CIT 

Crystal structure of ACPA E4 in complex with CII-C-13-CIT (310K, 37°C, 100 ns): seed #1 >> RMSD, SASA, RMSF, Rg, H-bonds

Crystal structure of ACPA E4 in complex with CII-C-13-CIT (311K, 38°C, 100 ns) : seed #1 >> RMSD, SASA, RMSF, Rg, H-bonds

Crystal structure of ACPA E4 in complex with CII-C-13-CIT (312K, 39°C, 100 ns): seed #1 >> RMSD, SASA, RMSF, Rg, H-bonds

Crystal structure of ACPA E4 in complex with CII-C-13-CIT (313K, 40°C, 100 ns): seed #1 >> RMSD, SASA, RMSF, Rg, H-bonds

Crystal structure of ACPA E4 in complex with CII-C-13-CIT (310K, 37°C, 100 ns): seed #2 >> RMSD, SASA, RMSF, Rg, H-bonds

Crystal structure of ACPA E4 in complex with CII-C-13-CIT (311K, 38°C, 100 ns): seed #2 >> RMSD, SASA, RMSF, Rg, H-bonds

Crystal structure of ACPA E4 in complex with CII-C-13-CIT (312K, 39°C, 100 ns): seed #2 >> RMSD, SASA, RMSF, Rg, H-bonds

Crystal structure of ACPA E4 in complex with CII-C-13-CIT (313K, 40°C, 100 ns): seed #2 >> RMSD, SASA, RMSF, Rg, H-bonds

Crystal structure of ACPA E4 in complex with CII-C-13-CIT (310K, 37°C, 100 ns): seed #3 >> RMSD, SASA, RMSF, Rg, H-bonds

Crystal structure of ACPA E4 in complex with CII-C-13-CIT (311K, 38°C, 100 ns): seed #3 >> RMSD, SASA, RMSF, Rg, H-bonds

Crystal structure of ACPA E4 in complex with CII-C-13-CIT (312K, 39°C, 100 ns): seed #3 >> RMSD, SASA, RMSF, Rg, H-bonds

Crystal structure of ACPA E4 in complex with CII-C-13-CIT (313K, 40°C, 100 ns): seed #3 >> RMSD, SASA, RMSF, Rg, H-bonds

CII-C-13-CIT (310K, 37°C, 100 ns): random seed #1 >> RMSD, SASA, RMSF, Rg.

CII-C-13-CIT (311K, 38°C, 100 ns): random seed #1 >> RMSD, SASA, RMSF, Rg.

CII-C-13-CIT (312K, 39°C, 100 ns): random seed #1 >> RMSD, SASA, RMSF, Rg.

CII-C-13-CIT (313K, 40°C, 100 ns): random seed #1 >> RMSD, SASA, RMSF, Rg.

CII-C-13-CIT (310K, 37°C, 100 ns): random seed #2 >> RMSD, SASA, RMSF, Rg.

CII-C-13-CIT (311K, 38°C, 100 ns): random seed #2 >> RMSD, SASA, RMSF, Rg.

CII-C-13-CIT (312K, 39°C, 100 ns): random seed #2 >> RMSD, SASA, RMSF, Rg.

CII-C-13-CIT (313K, 40°C, 100 ns): random seed #2 >> RMSD, SASA, RMSF, Rg.