Details
Structure visualisation
Entry information
| Complex | |
| AACDB_ID: | 2904 |
| PDBID: | 6UC6 |
| Chains: | D_B |
| Organism: | Clostridium botulinum, Vicugna pacos |
| Method: | XRD |
| Resolution (Å): | 2.32 |
| Reference: | 10.1016/j.celrep.2020.01.107 |
| Antibody | |
| Antibody: | JLI-H11 VHH |
| Antibody mutation: | No |
| INN (Clinical Trial): | |
| Antigen | |
| Antigen: | Botulinum neurotoxin type B receptor-binding domain |
| Antigen mutation: | No |
| Durg Target: | P10844 |
Sequence information
Antibody
Chain: D
Mutation: NULL
| >6UC6_D|Chain B[auth C], D|JLI-H11|Vicugna pacos (30538) MHHHHHHMASMTGGQQMGRGSQVQLVESGGGLVQPGESLRLSCGASGMSLDYYAIAWYRQAPGKEREGVSCISVSGSSAQYLDSVRGRFIISKDNTKSTAYLQMNSLKPEDTAVYYCAALADCAGYASLTFDFDSWGQGTQVAVSSAHHSEDPS |
Antigen
Chain: B
Mutation: NULL
| >6UC6_B|Chain A, C[auth B]|Botulinum neurotoxin type B|Clostridium botulinum (1491) GPLGSEILNNIILNLRYKDNNLIDLSGYGAKVEVYDGVELNDKNQFKLTSSANSKIRVTQNQNIIFNSVFLDFSVSFWIRIPKYKNDGIQNYIHNEYTIINCMKNNSGWKISIRGNRIIWTLIDINGKTKSVFFEYNIREDISEYINRWFFVTITNNLNNAKIYINGKLESNTDIKDIREVIANGEIIFKLDGDIDRTQFIWMKYFSIFNTELSQSNIEERYKIQSYSEYLKDFWGNPLMYNKEYYMFNAGNKNSYIKLKKDSPVGEILTRSKYNQNSKYINYRDLYIGEKFIIRRKSNSQSINDDIVRKEDYIYLDFFNLNQEWRVYTYKYFKKEEEKLFLAPISDSDEFYNTIQIKEYDEQPTYSCQLLFKKDEESTDEIGLIGIHRFYESGIVFEEYKDYFCISKWYLKEVKRKPYNLKLGCNWQFIPKDEGWTE |
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: SER0 VAL2 GLN3 LEU4 GLU6 GLY26 MET27 TYR31 TYR32 CYS96 ALA97 ALA98 LEU99 ALA100 ASP101 ALA103 GLY104 SER107 LEU108 THR109 PHE110 ASP111 PHE112 TRP115 B: ASN1095 GLU1097 LYS1144 ILE1146 ARG1148 PHE1172 LEU1174 ASN1175 GLN1176 GLU1177 TRP1178 ARG1179 PRO1197 ILE1198 SER1199 ASP1200 |
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)
