Details
Structure visualisation
Entry information
| Complex | |
| AACDB_ID: | 2915 |
| PDBID: | 6UHT |
| Chains: | C_A |
| Organism: | Clostridium botulinum, Vicugna pacos |
| Method: | XRD |
| Resolution (Å): | 2.20 |
| Reference: | 10.1016/j.celrep.2020.01.107 |
| Antibody | |
| Antibody: | JLI-G10 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: C
Mutation: NULL
| >6UHT_C|Chain C, D|JLI-G10|Vicugna pacos (30538) GPLGSQVQLVESGGGLVQAGGSLRLSCAASILTYDLDYYYIGWVRQAPGKEREGVSCISSTDGATYYADSVKGRFTISRNNAKNTVYLQMNNLKPEDTAIYYCAAAPLAGRYCPASHEYGYWGQGTQVTVSSAHHSEDPS |
Antigen
Chain: A
Mutation: NULL
| >6UHT_A|Chain A, 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)
| C: LEU31 ASP32 TYR33 TYR35 ARG47 GLU48 GLY49 VAL50 SER51 THR56 ASP57 TYR61 TYR62 ALA63 ASP64 PRO102 LEU103 ALA104 GLY105 ARG106 TYR107 CYS108 PRO109 ALA110 SER111 HIS112 GLU113 A: GLY1104 ASN1105 GLU1189 GLU1190 ILE1240 HIS1241 ARG1242 TYR1244 GLY1247 ILE1248 VAL1249 PHE1250 GLU1251 TYR1253 TRP1262 TYR1263 GLU1266 ARG1269 LYS1270 PRO1271 TYR1272 ASN1273 LYS1275 LEU1276 GLY1277 |
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)
