Details
Structure visualisation
Entry information
| Complex | |
| AACDB_ID: | 307 |
| PDBID: | 2NYY |
| Chains: | DC_A |
| Organism: | Clostridium botulinum, Homo sapiens |
| Method: | XRD |
| Resolution (Å): | 2.61 |
| Reference: | 10.1038/nbt1269 |
| Antibody | |
| Antibody: | CR1 Fv |
| Antibody mutation: | No |
| INN (Clinical Trial): | |
| Antigen | |
| Antigen: | Botulinum neurotoxin type A |
| Antigen mutation: | No |
| Durg Target: | P10845; Q7B8V4; |
Sequence information
Antibody
Heavy Chain: D
Mutation: NULL
| >2NYY_D|Chain C[auth D]|CR1 monoclonal antibody|Homo sapiens (9606) QVQLQESGGGLVQPGGSLRLSCAASGFTFKYDYMYWVRQAPGKGLEWVATISDGGSYTYYSDSVEGRFTTSRDNSKNTLYLQMNSLRAEDTAIYYCSRYRYDDAMDYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDK |
Light Chain: C
Mutation: NULL
| >2NYY_C|Chain B[auth C]|CR1 monoclonal antibody|Homo sapiens (9606) EIVLTQSPATLSLSPGERATISCRASESVDSYGHSFMQWYQQKPGQAPRLLIYRASNLEPGIPARFSGSGSGTDFTLTISSLEPEDFAVYYCQQGNEVPFTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC |
Antigen
Chain: A
Mutation: NULL
| >2NYY_A|Chain A|Botulinum neurotoxin type A|Clostridium botulinum (1491) PFVNKQFNYKDPVNGVDIAYIKIPNVGQMQPVKAFKIHNKIWVIPERDTFTNPEEGDLNPPPEAKQVPVSYYDSTYLSTDNEKDNYLKGVTKLFERIYSTDLGRMLLTSIVRGIPFWGGSTIDTELKVIDTNCINVIQPDGSYRSEELNLVIIGPSADIIQFECKSFGHEVLNLTRNGYGSTQYIRFSPDFTFGFEESLEVDTNPLLGAGKFATDPAVTLAHELIHAGHRLYGIAINPNRVFKVNTNAYYEMSGLEVSFEELRTFGGHDAKFIDSLQENEFRLYYYNKFKDIASTLNKAKSIVGTTASLQYMKNVFKEKYLLSEDTSGKFSVDKLKFDKLYKMLTEIYTEDNFVKFFKVLNRKTYLNFDKAVFKINIVPKVNYTIYDGFNLRNTNLAANFNGQNTEINNMNFTKLKNFTGLFEFYKLLCVRGIITSKTKSLDKGYNKALNDLCIKVNNWDLFFSPSEDNFTNDLNKGEEITSDTNIEAAEENISLDLIQQYYLTFNFDNEPENISIENLSSDIIGQLELMPNIERFPNGKKYELDKYTMFHYLRAQEFEHGKSRIALTNSVNEALLNPSRVYTFFSSDYVKKVNKATEAAMFLGWVEQLVYDFTDETSEVSTTDKIADITIIIPYIGPALNIGNMLYKDDFVGALIFSGAVILLEFIPEIAIPVLGTFALVSYIANKVLTVQTIDNALSKRNEKWDEVYKYIVTNWLAKVNTQIDLIRKKMKEALENQAEATKAIINYQYNQYTEEEKNNINFNIDDLSSKLNESINKAMININKFLNQCSVSYLMNSMIPYGVKRLEDFDASLKDALLKYIYDNRGTLIGQVDRLKDKVNNTLSTDIPFQLSKYVDNQRLLSTFTEYIKNIINTSILNLRYESNHLIDLSRYASKINIGSKVNFDPIDKNQIQLFNLESSKIEVILKNAIVYNSMYENFSTSFWIRIPKYFNSISLNNEYTIINCMENNSGWKVSLNYGEIIWTLQDTQEIKQRVVFKYSQMINISDYINRWIFVTITNNRLNNSKIYINGRLIDQKPISNLGNIHASNNIMFKLDGCRDTHRYIWIKYFNLFDKELNEKEIKDLYDNQSNSGILKDFWGDYLQYDKPYYMLNLYDPNKYVDVNNVGIRGYMYLKGPRGSVMTTNIYLNSSLYRGTKFIIKKYASGNKDNIVRNNDRVYINVVVKNKEYRLATNASQAGVEKILSALEIPDVGNLSQVVVMKSKNDQGITNKCKMNLQDNNGNDIGFIGFHQFNNIAKLVASNWYNRQIERSSRTLGCSWEFIPVDDGWGERPL |
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: GLU27 SER28 ASP30 SER31 TYR32 GLY33 HIS34 SER35 PHE36 SER71 GLY95 ASN96 GLU97 VAL98 PHE100 D: TYR31 TYR33 TYR35 SER52 ASP53 GLY54 SER56 TYR57 THR58 TYR59 TYR99 TYR101 ASP102 A: SER902 LYS903 PHE917 ASN918 LEU919 GLU920 SER921 PRO950 PHE953 ASN954 SER955 ILE956 LYS1056 LEU1057 ASP1058 GLY1059 CYS1060 ARG1061 ASP1062 THR1063 HIS1064 ARG1065 TYR1066 THR1145 ASP1289 GLY1292 GLU1293 ARG1294 |
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)
