Complex | |
AACDB_ID: | 3058 |
PDBID: | 6VX4 |
Chains: | HK_F |
Organism: | Mus musculus, Salmonella enterica subsp. enterica serovar Typhi str. CT18 |
Method: | EM |
Resolution (Å): | 3.12 |
Reference: | 10.1016/j.isci.2021.102454 |
Antibody | |
Antibody: | TyTx11 Fv |
Antibody mutation: | No |
INN (Clinical Trial): | |
Antigen | |
Antigen: | Cytolethal distending toxin subunit B |
Antigen mutation: | No |
Durg Target: |
Antibody
Heavy Chain: H
Mutation: NULL
>6VX4_H|Chain C[auth H]|Variable Domain of Heavy Chain of Antibody TyTx11|Mus musculus (10090) EVQLQQSGPVLVKPGPSVKISCKASGYSFIDYFMNWVMQSHGKSLEWIGRIDPYSGDTFYNQKFKGKATLTVDKSSTTAHMELRSLASEDSAVYYCAREVLNYYAMDYWGQGTSVTVSSAKTTPPSVYPLAPGSAAQTNSMVTLGCLVKGYFPEPVTVTWNSGSPWYISFLKLNKIFXREX |
Light Chain: K
Mutation: NULL
>6VX4_K|Chain A[auth K]|Variable Domain of Kappa Chain of TyTx11 Antibody|Mus musculus (10090) DIQMTQSSSYLSVSQGDRVTITCKASDHIDNWLAWYQQKPGNAPRLLISGATSLKTGLPSRFSGSGSGKDFSLSITNLQTEDVASYYCQQYWRTPYTFGGGTKLEI |
Antigen
Chain: F
Mutation: NULL
>6VX4_F|Chain I[auth F]|Cytolethal distending toxin subunit B|Salmonella enterica subsp. enterica serovar Typhi str. CT18 (220341) NISDYKVMTWNLQGSSASTESKWNVNVRQLLSGTAGVDILMVQEAGAVPTSAVPTGRHIQPFGVGIPIDEYTWNLGTTSRQDIRYIYHSAIDVGARRVNLAIVSRQRADNVYVLRPTTVASRPVIGIGLGNDVFLTAHALASGGPDAAAIVRVTINFFRQPQMRHLSWFLAGDFNRSPDRLENDLMTEHLERVVAVLAPTEPTQIGGGILDYGVIVDRAPYSQRVEALRNPQLASDHYPVAFLARSCLEHHHHHH |
Interaction
1、Solvent accessible surface areas (SASA) were calculated (Naccess V2.1.1) for each residue in antibody and antigen, respectively. The residues with SASA loss in binding of more than 1Å2 were classified as interacting residues.
Interacting residues (ΔSASA based)
K: ASN31 TRP32 LEU46 SER49 GLY50 ALA51 SER53 LEU54 LYS55 THR56 TYR91 TRP92 ARG93 THR94 H: VAL2 ILE30 ASP31 TYR32 PHE33 ASP52 TYR54 ARG98 VAL100 LEU101 ASN102 TYR103 TYR104 ASP107 TYR108 F: VAL86 ARG137 PRO138 THR139 THR140 ALA171 ARG174 VAL175 ILE177 ASN178 ARG181 GLN182 PRO183 ARG186 MET208 THR209 GLU210 HIS211 LEU212 GLU213 VAL215 ARG240 |
2、We defined interacting paratope-epitope residues by a distance cutoff of < 5Å . Two amino acids are considered as interacting residues if they have at least one atom within a distance of 5 Å from any atom.
Interacting residues (Atom distance based)