Details
Structure visualisation
Entry information
| Complex | |
| AACDB_ID: | 2631 |
| PDBID: | 6OQ8 |
| Chains: | D_A |
| Organism: | Clostridioides difficile, Camelidae |
| Method: | XRD |
| Resolution (Å): | 2.20 |
| Reference: | 10.1038/s41594-019-0268-0 |
| Antibody | |
| Antibody: | 7F VHH |
| Antibody mutation: | No |
| INN (Clinical Trial): | |
| Antigen | |
| Antigen: | Toxin B |
| Antigen mutation: | No |
| Durg Target: | P18177 |
Sequence information
Antibody
Chain: D
Mutation: NULL
| >6OQ8_D|Chain B[auth C], D|7F|Camelidae (9835) SNSQVQLVESGGGLVEAGGSLRLSCVVTGSSFSTSTMAWYRQPPGKQREWVASFTSGGAIKYTDSVKGRFTMSRDNAKKMTYLQMENLKPEDTAVYYCALHNAVSGSSWGRGTQVTVSSEPKTPKPQTSGAPVPYPDPLEPR |
Antigen
Chain: A
Mutation: NULL
| >6OQ8_A|Chain A, C[auth B]|Toxin B|Clostridioides difficile (1496) GMSLVNRKQLEKMANVRFRTQEDEYVAILDALEEYHNMSENTVVEKYLKLKDINSLTDIYIDTYKKSGRNKALKKFKEYLVTEVLELKNNNLTPVEKNLHFVWIGGQINDTAINYINQWKDVNSDYNVNVFYDSNAFLINTLKKTVVESAINDTLESFRENLNDPRFDYNKFFRKRMEIIYDKQKNFINYYKAQREENPELIIDDIVKTYLSNEYSKEIDELNTYIEESLNKITQNSGNDVRNFEEFKNGESFNLYEQELVERWNLAAASDILRISALKEIGGMYLDVDMLPGIQPDLFESIEKPSSVTVDFWEMTKLEAIMKYKEYIPEYTSEHFDMLDEEVQSSFESVLASKSDKSEIFSSLGDMEASPLEVKIAFNSKGIINQGLISVKDSYCSNLIVKQIENRYKILNNSLNPAISEDNDFNTTTNTFIDSIMAEANADNGRFMMELGKYLRVGFFPDVKTTINLSGPEAYAAAYQDLLMFKEGSMNIHLIEADLRNFEISKTNISQSTEQEMASLWSFDDARAKAQFEEYKRNYFEGS |
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)
| D: SER-2 SER27 SER28 SER30 THR31 SER32 THR33 ALA35 TYR37 ARG45 TRP47 SER50 THR52 SER53 GLY54 LYS58 THR60 ASN73 ALA74 HIS98 ASN99 ALA100 VAL101 SER102 GLY103 SER104 TRP106 A: THR144 GLU147 SER148 ILE150 ASN151 ASP152 GLU155 SER156 ARG158 GLU159 GLU213 TYR214 SER215 LYS216 TYR534 ASN537 TYR538 PHE539 GLU540 GLY541 SER542 |
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)
