Details
Structure visualisation
Entry information
| Complex | |
| AACDB_ID: | 2917 |
| PDBID: | 6UI1 |
| Chains: | B_A |
| Organism: | Clostridium botulinum, Vicugna pacos |
| Method: | XRD |
| Resolution (Å): | 2.20 |
| Reference: | 10.1016/j.celrep.2020.01.107 |
| Antibody | |
| Antibody: | ciA-H7 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: B
Mutation: NULL
| >6UI1_B|Chain B|ciA-H7|Vicugna pacos (30538) GSQVQLVESGGGLVQVGGSLRLSCVVSGSDISGIAMGWYRQAPGKRREMVADIFSGGSTDYAGSVKGRFTISRDNAKKTSYLQMNNVKPEDTGVYYCRLYGSGDYWGQGTQVTVSSAHHSEDP |
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)
| B: ASP28 SER30 GLY31 ILE32 ALA33 TYR37 ARG38 GLN39 GLY42 LYS43 ARG44 GLU46 MET47 ASP50 PHE52 SER53 GLY54 SER56 THR57 ASP58 TYR59 ALA60 GLY61 SER62 LYS64 ASN73 ARG96 TYR98 GLY99 SER100 GLY101 ASP102 TRP104 A: PHE117 GLY119 SER121 THR122 ILE123 ASP124 GLU126 LEU127 HIS170 GLU171 VAL172 LEU173 ASN174 ARG177 ASN178 TYR180 ASN238 ASN240 ARG241 LEU277 GLU281 PHE282 LEU284 TYR285 TYR287 ASN288 LYS289 LYS291 ASP292 THR296 LYS299 ALA300 LYS335 THR472 ASP474 LYS477 GLY478 LEU530 |
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)
