Details
Structure visualisation
Entry information
| Complex | |
| AACDB_ID: | 2918 |
| PDBID: | 6UI1 |
| Chains: | C_A |
| Organism: | Clostridium botulinum, Vicugna pacos |
| Method: | XRD |
| Resolution (Å): | 2.20 |
| Reference: | 10.1016/j.celrep.2020.01.107 |
| Antibody | |
| Antibody: | ciA-D12 VHH |
| Antibody mutation: | No |
| INN (Clinical Trial): | |
| Antigen | |
| Antigen: | Botulinum Neurotoxins |
| Antigen mutation: | No |
| Durg Target: | Q7B8V4; P10845; Q7B8V4; P10845; Q7B8V4; P10845; |
Sequence information
Antibody
Chain: C
Mutation: NULL
| >6UI1_C|Chain C|ciA-D12|Vicugna pacos (30538) GSQVQLVESGGGLVQPGGSLRLSCVVSGSDFNTYIMGWYRQVPGKPRELVADITTEGKTNYGGSVKGRFTISRDNAKNTVYLQMFGLKPEDAGNYVCNADWKMGAWTAGDYGIDYWGKGTLVTVSSGPKTPKPQ |
Antigen
Chain: A
Mutation: NULL
| >6UI1_A|Chain A|BoNT/A|Clostridium botulinum (1491) GPMPFVNKQFNYKDPVNGVDIAYIKIPNAGQMQPVKAFKIHNKIWVIPERDTFTNPEEGDLNPPPEAKQVPVSYYDSTYLSTDNEKDNYLKGVTKLFERIYSTDLGRMLLTSIVRGIPFWGGSTIDTELKVIDTNCINVIQPDGSYRSEELNLVIIGPSADIIQFECKSFGHEVLNLTRNGYGSTQYIRFSPDFTFGFEESLEVDTNPLLGAGKFATDPAVTLAHQLIHAGHRLYGIAINPNRVFKVNTNAYYEMSGLEVSFEELRTFGGHDAKFIDSLQENEFRLYYYNKFKDIASTLNKAKSIVGTTASLQYMKNVFKEKYLLSEDTSGKFSVDKLKFDKLYKMLTEIYTEDNFVKFFKVLNAKTFLNFDKAVFKINIVPKVNYTIYDGFNLRNTNLAANFNGQNTEINNMNFTKLKNFTGLFEFYKLLCVRGIITSKTKSLDKGYNKALNDLCIKVNNWDLFFSPSEDNFTNDLNKGEEITSDTNIEAAEENISLDLIQQYYLTFNFDNEPENISIENLSSDIIGQLELMPNIERFPNGKKYELDKYTMFHYLRAQEFEHGKSRIALTNSVNEALLNPSRVYTFFSSDYVKKVNKATEAAMFLGWVEQLVYDFTDETSEVSTTDKIADITIIIPYIGPALNIGNMLYKDDFVGALIFSGAVILLEFIPEIAIPVLGTFALVSYIANKVLTVQTIDNALSKRNEKWDEVYKYIVTNWLAKVNTQIDLIRKKMKEALENQAEATKAIINYQYNQYTEEEKNNINFNIDDLSSKLNESINKAMININKFLNQCSVSYLMNSMIPYGVKRLEDFDASLKDALLKYIYDNRGTLIGQVDRLKDKVNNTLSTDIPFQLSKYVDNQRLLSTFTEYIK |
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: TYR37 GLN39 GLY42 LYS43 PRO44 ARG45 GLU46 ASN96 ASP98 MET101 GLY102 ALA103 TRP104 THR105 GLY107 ASP108 TYR109 GLY110 ILE111 ASP112 TRP114 A: PRO2 VAL4 ASN5 LYS6 GLN7 LYS89 THR92 LYS93 GLU96 SER100 VAL379 LYS381 VAL382 ASN383 THR385 ILE386 TYR387 ASP388 LEU392 ARG393 ASN394 THR395 ASN396 LEU397 ILE408 ASN409 ASN410 MET411 ASN412 |
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)
