Details

Structure visualisation

Display styles :





Display color :





Entry information

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;

Sequence information

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)

Download

Download sequences
Download structure
Download interacting residues (ΔSASA based)
Download interacting residues (Distance based)