Details
Structure visualisation
Entry information
| Complex | |
| AACDB_ID: | 2914 |
| PDBID: | 6UFT |
| Chains: | B_A |
| Organism: | Clostridium botulinum, Vicugna pacos |
| Method: | XRD |
| Resolution (Å): | 2.90 |
| Reference: | 10.1016/j.celrep.2020.01.107 |
| Antibody | |
| Antibody: | JLK-G12 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: B
Mutation: NULL
| >6UFT_B|Chain B|JLK-G12|Vicugna pacos (30538) MHHHHHHMASMTGGQQMGRGSQVQLVESGGGLVQAGGSLRLSCAASEFRAEHFAVGWFRQAPGKEREGVSCVDASGDSTAYADSVKGRFTISRDNNKNVVYLQMDSLEPEDTGDYYCGASYFTVCAKSMRKIEYRYWGQGTQVTVSSEPKTPKPQ |
Antigen
Chain: A
Mutation: NULL
| >6UFT_A|Chain A|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)
| B: VAL2 ALA24 GLU26 PHE27 ARG28 GLU30 HIS31 PHE32 ASP52 ALA53 SER54 ASP56 SER57 ASN77 TYR100 PHE101 THR102 VAL103 ALA105 LYS106 SER107 ARG109 ILE111 GLU112 ARG114 TYR115 A: LYS1113 ASP1115 SER1116 PRO1117 VAL1118 TYR1183 TYR1185 PHE1186 LYS1187 LYS1188 GLU1190 GLU1191 LYS1192 PHE1194 SER1201 GLU1203 PHE1204 TYR1244 GLU1245 SER1246 GLY1247 ILE1248 GLU1251 TYR1253 TYR1256 |
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)
