Details
Structure visualisation
Entry information
| Complex | |
| AACDB_ID: | 6639 |
| PDBID: | 3K3Q |
| Chains: | A_B |
| 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: | P10845; Q7B8V4; |
Sequence information
Antibody
Chain: A
Mutation: NULL
| >3K3Q_A|Chain A|llama Aa1 VHH domain|Lama glama (9844) MDIAVQLVDSGGGTLQAGKSLRLSCAISGLAFDGGAMGSEHRLTAGAMGWFRQAPGKDREFVAAISPRTDETYYAESLEGRFSVSRDAAATMVFLQADNVRLDDTASYYCAADEDVTPRVMGVIPHADHWGQGTLVTVSSAAALEHHHHHH |
Antigen
Chain: B
Mutation: NULL
| >3K3Q_B|Chain B|Botulinum neurotoxin type A|Clostridium botulinum A str. Hall (441771) MAVQFVNKQFNYKDPVNGVDIAYIKIPNVGQMQPVKAFKIHNKIWVIPERDTFTNPEEGDLNPPPEAKQVPVSYYDSTYLSTDNEKDNYLKGVTKLFERIYSTDLGRMLLTSIVRGIPFWGGSTIDTELKVIDTNCINVIQPDGSYRSEELNLVIIGPSADIIQFECKSFGHEVLNLTRNGYGSTQYIRFSPDFTFGFEESLEVDTNPLLGAGKFATDPAVTLAHELIHAGHRLYGIAINPNRVFKVNTNAY |
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)
| Chain residues position delta_SASA
: residuesposition A: ALA36 MET37 HIS41 THR44 ASP115 VAL116 THR117 ARG119 VAL120 ILE124 B: ASP102 LEU103 ARG105 MET106 THR109 SER110 ARG113 |
2、We defined interacting paratope-epitope residues by a distance cutoff of < 6 Å . Two amino acids are considered as interacting residues if they have at least one atom within a distance of 6 Å from any atom.
Interacting residues (Atom distance based)
