Complex | |
AACDB_ID: | 6640 |
PDBID: | 3K3Q |
Chains: | A_C |
Organism: | Lama glama, Clostridium botulinum A str. Hall |
Method: | XRD |
Resolution (Å): | 2.60 |
Reference: | 10.1016/j.jmb.2010.01.070 |
Antibody | |
Antibody: | Aa1 VHH |
Antibody mutation: | No |
INN (Clinical Trial): | |
Antigen | |
Antigen: | Botulinum neurotoxin (BoNT) type A |
Antigen mutation: | No |
Durg Target: | Q7B8V4; P10845; |
Antibody
Chain: A
Mutation: NULL
>3K3Q_A|Chain A|llama Aa1 VHH domain|Lama glama (9844) MDIAVQLVDSGGGTLQAGKSLRLSCAISGLAFDGGAMGSEHRLTAGAMGWFRQAPGKDREFVAAISPRTDETYYAESLEGRFSVSRDAAATMVFLQADNVRLDDTASYYCAADEDVTPRVMGVIPHADHWGQGTLVTVSSAAALEHHHHHH |
Antigen
Chain: C
Mutation: NULL
>3K3Q_C|Chain C|Botulinum neurotoxin type A|Clostridium botulinum A str. Hall (441771) YEMSGLEVSFEELRTFGGHDAKFIDSLQENEFRLYYYNKFKDIASTLNKAKSIVGTTASLQYMKNVFKEKYLLSEDTSGKFSVDKLKFDKLYKMLTEIYTEDNFVKFFKVLNRKTYLNFDKAVFKINIVPKVNYTIYDGFNLRNTNLAANFNGQNTEINNMNFTKLKNFTGLFEF |
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)
A: ALA36 MET37 ASP115 VAL116 ARG119 VAL120 VAL123 ILE124 HIS126 ASP128 C: LEU322 LYS337 LYS340 LEU341 LYS343 MET344 GLU347 ILE348 ASN353 LYS356 PHE357 |
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)