Details
Structure visualisation
Entry information
| Complex | |
| AACDB_ID: | 2919 |
| PDBID: | 6UI1 |
| Chains: | D_A |
| Organism: | Clostridium botulinum, Vicugna pacos |
| Method: | XRD |
| Resolution (Å): | 2.20 |
| Reference: | 10.1016/j.celrep.2020.01.107 |
| Antibody | |
| Antibody: | ciA-B5 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: D
Mutation: NULL
| >6UI1_D|Chain D|ciA-B5|Vicugna pacos (30538) GPLGSQVQLVESGGGLVHPGGSLRLSCAPSASLPSTPFNPFNNMVGWYRQAPGKQREMVASIGLRINYADSVKGRFTISRDNAKNTVDLQMDSLRPEDSATYYCHIEYTHYWGKGTLVTVSSEPKTPKPQ |
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)
| D: PRO29 THR31 PRO32 PHE33 PRO35 ASN38 MET39 TYR43 GLN45 GLY48 LYS49 GLN50 GLU52 MET53 GLY58 LEU59 ARG60 ASN62 HIS100 GLU102 TYR103 THR104 HIS105 TYR106 TRP107 A: LEU207 ASN394 THR395 ASN396 ALA399 ASN400 ASN402 ALA600 ALA601 LEU604 GLY605 VAL607 GLU608 GLN609 VAL611 TYR612 ASP613 THR615 ASP616 GLU757 GLU758 ASN760 ASN761 ILE762 ASN763 PHE764 ASN765 ASP768 LEU769 LYS772 |
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)
