Details
Structure visualisation
Entry information
| Complex | |
| AACDB_ID: | 7266 |
| PDBID: | 7NA9 |
| Chains: | D_A |
| Organism: | Clostridium botulinum, Vicugna pacos |
| Method: | XRD |
| Resolution (Å): | 1.76 |
| Reference: | 10.1371/journal.ppat.1010169 |
| Antibody | |
| Antibody: | JSG-C1 VHH |
| Antibody mutation: | No |
| INN (Clinical Trial): | |
| Antigen | |
| Antigen: | Botulinum neurotoxin (BoNT) type B |
| Antigen mutation: | No |
| Durg Target: | P10844 |
Sequence information
Antibody
Chain: D
Mutation: NULL
| >7NA9_D|Chain B[auth D]|JSG-C1|Vicugna pacos (30538) GPLGSQVQLVESGGGLVQTGGSLRLSCAASGRTFRRNTMGWFRQAPGKVREFVAAISWSGDRTYCADSVKGRFTISRDNAKNTVDLLMNSLKPEDTAIYYCAADGTASVFNSYASADRNKYNYWGQGTQVTVSS |
Antigen
Chain: A
Mutation: NULL
| >7NA9_A|Chain A|Botulinum neurotoxin type B|Clostridium botulinum (1491) GPLGSMPVTINNFNYNDPIDNNNIIMMEPPFARGTGRYYKAFKITDRIWIIPERYTFGYKPEDFNKSSGIFNRDVCEYYDPDYLNTNDKKNIFLQTMIKLFNRIKSKPLGEKLLEMIINGIPYLGDRRVPLEEFNTNIASVTVNKLISNPGEVERKKGIFANLIIFGPGPVLNENETIDIGIQNHFASREGFGGIMQMKFCPEYVSVFNNVQENKGASIFNRRGYFSDPALILMHELIHVLHGLYGIKVDDLPIVPNEKKFFMQSTDAIQAEELYTFGGQDPSIITPSTDKSIYDKVLQNFRGIVDRLNKVLVCISDPNININIYKNKFKDKYKFVEDSEGKYSIDVESFDKLYKSLMFGFTETNIAENYKIKTRASYFSDSLPPVKIKNLLDNEIYTIEEGFNISDKDMEKEYRGQNKAINKQAYEEISKEHLAVYKIQMCKSVK |
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-4 PRO-3 LEU-2 GLY-1 SER0 ARG27 ARG31 VAL44 ARG45 GLU46 PHE47 TRP53 ARG57 THR101 ALA102 SER103 VAL104 PHE105 ASN106 SER107 TYR108 ALA109 ALA111 ASP112 ARG113 ASN114 LYS115 TYR116 ASN117 TYR118 TRP119 A: PHE26 TYR50 PHE52 GLY53 TYR54 LYS55 ASP58 ARG68 ASP69 GLU72 TYR74 PRO165 VAL166 GLU169 GLU171 ILE173 ASP174 GLY176 ASN179 HIS180 PHE181 ARG184 GLU185 LYS243 VAL244 ASP245 ASP246 PRO248 VAL250 PRO251 ASN252 GLU253 LYS254 THR261 ASP262 ALA263 ILE264 GLN265 GLU267 |
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)
