Details
Structure visualisation
Entry information
| Complex | |
| AACDB_ID: | 3859 |
| PDBID: | 7K7Y |
| Chains: | D_A |
| Organism: | Clostridium botulinum, Vicugna pacos |
| Method: | XRD |
| Resolution (Å): | 3.60 |
| Reference: | 10.3390/toxins12100616 |
| Antibody | |
| Antibody: | JLE-E9 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: D
Mutation: NULL
| >7K7Y_D|Chain B[auth C], F[auth D], G[auth F], H|JLE-E9|Vicugna pacos (30538) GPLGSQLQLVETGGGLVQAGGSLRLSCAASGRTFSSYSMGWFRQAPGKEREYVAAVNSNGDSTFYADSIKGRFTVSRDAAKNTVYLQMNSLKPEDTALYYCAAVYGRYTYQSPKSYEYWGQGTQVTVSS |
Antigen
Chain: A
Mutation: NULL
| >7K7Y_A|Chain A, C[auth B], D[auth E], E[auth G]|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)
| D: GLY-1 GLN1 ARG27 THR28 SER31 TYR32 TYR47 ASN52 SER57 PHE59 ASP62 VAL99 TYR100 GLY101 ARG102 TYR103 THR104 TYR105 GLN106 SER107 LYS109 SER110 TYR111 GLU112 A: LYS236 GLN237 ASN238 PRO239 LEU240 PHE411 LYS413 ASN414 ARG422 VAL437 GLU440 ASN441 GLN511 HIS512 ASP513 VAL514 ASN515 GLU516 LEU517 ASN518 VAL519 ASN611 LEU634 GLU635 PHE636 GLU637 PRO638 GLU639 LEU641 |
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)
