Details
Structure visualisation
Entry information
| Complex | |
| AACDB_ID: | 3862 |
| PDBID: | 7K84 |
| Chains: | B_A |
| Organism: | Clostridium botulinum, Vicugna pacos |
| Method: | XRD |
| Resolution (Å): | 2.50 |
| Reference: | 10.3390/toxins12100616 |
| Antibody | |
| Antibody: | JLE-E5 VHH |
| Antibody mutation: | No |
| INN (Clinical Trial): | |
| Antigen | |
| Antigen: | Botulinum neurotoxin serotype E (BoNT/E) |
| Antigen mutation: | No |
| Durg Target: | Q00496 |
Sequence information
Antibody
Chain: B
Mutation: NULL
| >7K84_B|Chain B|JLE-E5|Vicugna pacos (30538) GPLGSQVQLVETGGGLVQAGGSLRLSCAASGRSYAMGWFRQGPGKEREFVATISWSSTNTWYADSVKGRFTISRDNAKNTVYLQMNSLKPEDTAVYYCAASHRFSDYPMRSEDGMDYWGKGTLVTVSS |
Antigen
Chain: A
Mutation: NULL
| >7K84_A|Chain A|Botulinum neurotoxin type E|Clostridium botulinum (1491) GPLGSMPKINSFNYNDPVNDRTILYIKPGGCQEFYKSFNIMKNIWIIPERNVIGTTPQDFHPPTSLKNGDSSYYDPNYLQSDEEKDRFLKIVTKIFNRINNNLSGGILLEELSKANPYLGNDNTPDNQFHIGDASAVEIKFSNGSQDILLPNVIIMGAEPDLFETNSSNISLRNNYMPSNHGFGSIAIVTFSPEYSFRFNDNSMNEFIQDPALTLMHELIHSLHGLYGAKGITTKYTITQKQNPLITNIRGTNIEEFLTFGGTDLNIITSAQSNDIYTNLLADYKKIASKLSKVQVSNPLLNPYKDVFEAKYGLDKDASGIYSVNINKFNDIFKKLYSFTEFDLATKFQVKCRQTYIGQYKYFKLSNLLNDSIYNISEGYNINNLKVNFRGQNANLNPRIITPITGRGLVKKIIRFCKNIVSVKGIRKSICIEINNGELFFVASENSYNDDNINTPKEIDDTVTSNNNYENDLDQVILNFNSESAPGLSDEKLNLTIQNDAYIPKYDSNGTSDIEQHDVNELNVFFYLDAQKVPEGENNVNLTSSIDTALLEQPKIYTFFSSEFINNVNKPVQAALFVSWIQQVLVDFTTEANQKSTVDKIADISIVVPYIGLALNIGNEAQKGNFKDALELLGAGILLEFEPELLIPTILVFTIKSFLGSSDNKNKVIKAINNALKERDEKWKEVYSFIVSNWMTKINTQFNKRKEQMYQALQNQVNAIKTIIESKYNSYTLEEKNELTNKYDIKQIENELNQKVSIAMNNIDRFLTESSISYLMKLINEVKINKLREYDENVKTYLLNYIIQHGSILGESQQELNSMVTDTLNNSIPFKLSSYTDDKILISYFNKFFK |
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: TYR29 SER49 TRP50 SER51 THR53 ASN54 THR55 TRP56 HIS97 ARG98 PHE99 SER100 ASP101 PRO103 MET104 ARG105 A: ASN449 PRO451 LYS452 GLU453 THR644 ILE645 LEU646 VAL647 PHE648 THR649 ILE650 LYS651 SER652 LEU654 GLU784 ASN788 THR791 TYR792 ASN795 TYR796 GLN799 HIS800 |
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)
