1. Complex: ACC1 Autoantibody in complex with citrullinated CII616-639 

• CATH

• Resolution: 2.9 Å

• Species: H. sapiens

2. Antigen: C1 epitope of collagen type II, CII-C-616-639-CIT peptide 

• structure length (residues): 46

• mutations: No

• Uniprot

3. Antibody: ACC1 Autoantibody

• Isotype/subclass: IgG1

• Structure: Fab only

3.1 Heavy chain 

• structure length (residues): 218

• mutations: No

• disulfide bridges: 23-92, 138-198

• CDR (residue numbering): 28, 33, 53, 56, 101

3.2 Light chain

• structure length (residues): 217

• mutations: No

• disulfide bridges: 22-98, 143-198

• CDR (residue numbering): 36, 38, 53, 95, 104

PDB - 5MV4: ACC1 Fab in complex with citrullinated CII616-639 epitope of collagen type II (ptm23) 

ACC1 Fab with citrullinated CII616-639 epitope of collagen type II (310K, 37°C, 100 ns): seed #1 >> RMSD, SASA, RMSF, Rg, H-bonds

ACC1 Fab with citrullinated CII616-639 epitope of collagen type II (311K, 38°C, 100 ns): seed #1 >> RMSD, SASA, RMSF, Rg, H-bonds

ACC1 Fab with citrullinated CII616-639 epitope of collagen type II (312K, 39°C, 100 ns): seed #1 >> RMSD, SASA, RMSF, Rg, H-bonds

ACC1 Fab with citrullinated CII616-639 epitope of collagen type II (313K, 40°C, 100 ns): seed #1 >> RMSD, SASA, RMSF, Rg, H-bonds

ACC1 Fab with citrullinated CII616-639 epitope of collagen type II (310K, 37°C, 100 ns): seed #2 >> RMSD, SASA, RMSF, Rg, H-bonds

ACC1 Fab with citrullinated CII616-639 epitope of collagen type II (311K, 38°C, 100 ns): seed #2 >> RMSD, SASA, RMSF, Rg, H-bonds

ACC1 Fab with citrullinated CII616-639 epitope of collagen type II (312K, 39°C, 100 ns): seed #2 >> RMSD, SASA, RMSF, Rg, H-bonds

ACC1 Fab with citrullinated CII616-639 epitope of collagen type II (313K, 40°C, 100 ns): seed #2 >> RMSD, SASA, RMSF, Rg, H-bonds

Citrullinated CII616-639 epitope of collagen type II (310K, 37°C, 100 ns): random seed #1 >> RMSD, SASA, RMSF, Rg

Citrullinated CII616-639 epitope of collagen type II (311K, 38°C, 100 ns): random seed #1 >>    RMSD, SASA, RMSF, Rg

Citrullinated CII616-639 epitope of collagen type II (312K, 39°C, 100 ns): random seed #1 >> RMSD, SASA, RMSF, Rg

Citrullinated CII616-639 epitope of collagen type II (313K, 40°C, 100 ns): random seed #1 >> RMSD, SASA, RMSF, Rg

Citrullinated CII616-639 epitope of collagen type II (310K, 37°C, 100 ns): random seed #2 >>  RMSD, SASA, RMSF, Rg

Citrullinated CII616-639 epitope of collagen type II (311K, 38°C, 100 ns): random seed #2 >>  RMSD, SASA, RMSF, Rg

Citrullinated CII616-639 epitope of collagen type II (312K, 39°C, 100 ns): random seed #2 >>  RMSD, SASA, RMSF, Rg

Citrullinated CII616-639 epitope of collagen type II (313K, 40°C, 100 ns): random seed #2 >>  RMSD, SASA, RMSF, Rg