Details
Structure visualisation
Entry information
| Complex | |
| AACDB_ID: | 1005 |
| PDBID: | 4V1D |
| Chains: | AB_C |
| Organism: | Homo sapiens, Centruroides noxius |
| Method: | XRD |
| Resolution (Å): | 3.10 |
| Reference: | 10.1074/jbc.M115.685297 |
| Antibody | |
| Antibody: | LR Fv |
| Antibody mutation: | No |
| INN (Clinical Trial): | |
| Antigen | |
| Antigen: | Cn2 toxin from scorpion Centruroides noxius |
| Antigen mutation: | No |
| Durg Target: | |
Sequence information
Antibody
Heavy Chain: A
Mutation: NULL
| >4V1D_A|Chain A|SINGLE CHAIN ANTIBODY FRAGMENT LR, HEAVY CHAIN|HOMO SAPIENS (9606) EVQLVESGGGLVQPGGSLRLSCTGSGFTFDNYAMHWLRQVPGEGLEWVSGISRSSGDIDYADSVKGRFTISRDDAKKTLSLQMNSLRAEDTAVYYCARGGFGSFDTWGQGTMVTVSS |
Light Chain: B
Mutation: NULL
| >4V1D_B|Chain B|SINGLE CHAIN ANTIBODY FRAGMENT LR, LIGHT CHAIN|HOMO SAPIENS (9606) GGGGSGGGGSGGGGSEIVLTQSPATLSVSPGERATLSCRASQSVRSYLAWYQQKPGQAPRLLFSDASNRATGIPARFTGSGSGTDFTLTISSLEPEDFAIYYCQQYRYSPRTFGQGTKVEIKRAAAEQKLISEEDLNGAAHHHHHH |
Antigen
Chain: C
Mutation: NULL
| >4V1D_C|Chain C|BETA-MAMMAL TOXIN CN2|CENTRUROIDES NOXIUS (6878) KEGYLVDKNTGCKYECLKLGDNDYCLRECKQQYGKGAGGYCYAFACWCTHLYEQAIVWPLPNKRCS |
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: ASN31 TYR32 ALA33 HIS35 TRP47 GLY50 ILE51 SER52 ARG53 SER54 GLY56 ASP57 ILE58 ASP59 GLY99 PHE101 GLY102 B: ARG162 TYR164 ASN185 ARG186 ALA187 THR188 TYR223 ARG224 TYR225 SER226 ARG228 C: TYR4 ASP7 THR10 CYS12 LYS13 TYR14 GLU15 CYS16 LEU17 LYS18 LEU19 ASN22 TYR24 ARG27 GLU28 TYR42 ALA43 PHE44 ALA45 ARG64 CYS65 SER66 |
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)
