Details
Structure visualisation
Entry information
| Complex | |
| AACDB_ID: | 1542 |
| PDBID: | 5L21 |
| Chains: | B_A |
| Organism: | Clostridium botulinum A str. Hall, Vicugna pacos |
| Method: | XRD |
| Resolution (Å): | 1.68 |
| Reference: | 10.1038/s41598-017-07457-5 |
| Antibody | |
| Antibody: | ciA-C2 VHH |
| Antibody mutation: | No |
| INN (Clinical Trial): | |
| Antigen | |
| Antigen: | Botulinum neurotoxin type A |
| Antigen mutation: | Yes |
| Durg Target: | Q7B8V4; P10845; |
Sequence information
Antibody
Chain: B
Mutation: NULL
| >5L21_B|Chain B|VHH-C2|Vicugna pacos (30538) QVQLVESGGGLAQPGGSLRLSCEASGFGTWFRFDENTVNWYRQPPGKSREFDELVARYPKSGIVTYLDSVKGRFTISRDNAKKMAFLQMDNLKPEDTAVYYCNVGEFWGQGTQVTISSE |
Antigen
Chain: A
Mutation: T290A
| >5L21_A|Chain A|Botulinum neurotoxin type A|Clostridium botulinum (strain Hall / ATCC 3502 / NCTC 13319 / Type A) (441771) GPMNIINTSILNLRYESNHLIDLSRYASKINIGSKVNFDPIDKNQIQLFNLESSKIEVILKNAIVYNSMYENFSTSFWIRIPKYFNSISLNNEYTIINCMENNSGWKVSLNYGEIIWTLQDTQEIKQRVVFKYSQMINISDYINRWIFVTITNNRLNNSKIYINGRLIDQKPISNLGNIHASNNIMFKLDGCRDTHRYIWIKYFNLFDKELNEKEIKDLYDNQSNSGILKDFWGDYLQYDKPYYMLNLYDPNKYVDVNNVGIRGYMYLKGPRGSVMTTNIYLNSSLYRGAKFIIKKYASGNKDNIVRNNDRVYINVVVKNKEYRLATNASQAGVEKILSALEIPDVGNLSQVVVMKSKNDQGITNKCKMNLQDNNGNDIGFIGFHQFNNIAKLVASNWYNRQIERSSRTLGCSWEFIPVDDGWGERPL |
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: GLN1 VAL2 GLY26 GLY28 THR29 TRP30 ARG32 GLU35 ASN36 THR37 TYR41 ARG49 GLU50 ASP52 GLU53 LEU54 ARG57 PRO59 LYS60 SER61 ILE63 VAL64 THR65 TYR66 LEU67 ASP68 LYS71 GLY105 GLU106 PHE107 TRP108 A: LYS903 VAL904 ASN905 ASP907 PRO908 ILE909 GLN915 PHE917 ASN918 LEU919 PHE953 ASN954 THR1063 HIS1064 TYR1066 GLN1106 ASP1108 LYS1109 PRO1110 TYR1112 MET1144 THR1145 THR1146 TYR1155 LYS1159 ILE1161 VAL1185 LYS1187 ASN1188 GLU1190 VAL1287 ASP1289 GLY1292 GLU1293 ARG1294 PRO1295 |
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)
