Details
Structure visualisation
Entry information
| Complex | |
| AACDB_ID: | 1115 |
| PDBID: | 4YGA |
| Chains: | B_A |
| Organism: | Toxoplasma gondii, Vicugna pacos |
| Method: | XRD |
| Resolution (Å): | 2.94 |
| Reference: | 10.1073/pnas.1505914112 |
| Antibody | |
| Antibody: | 1B7 VHH |
| Antibody mutation: | No |
| INN (Clinical Trial): | |
| Antigen | |
| Antigen: | Calmodulin-domain protein kinase 1 |
| Antigen mutation: | No |
| Durg Target: | |
Sequence information
Antibody
Chain: B
Mutation: NULL
| >4YGA_B|Chain B, D, F, H|VHH-1B7|Vicugna pacos (30538) MQVQLVETGGGLVQPGESLRLSCVASGFTLDHSAVGWFRQVPGKEREKLLCINANGVSLDYADSIKGRFTISRDNAKNTVYLQMNDLKPEDTATYSCAATREFCSAYVFLYEHWGQGTQVTVSSGGGLPETGGLEHHHHHH |
Antigen
Chain: A
Mutation: NULL
| >4YGA_A|Chain A, C, E, G|Calmodulin-domain protein kinase 1|Toxoplasma gondii (5811) MMGQQESTLGGAAGEPRSRGHAAGTSGGPGDHLHATPGMFVQHSTAIFSDRYKGQRVLGKGSFGEVILCKDKITGQECAVKVISKRQVKQKTDKESLLREVQLLKQLDHPNIMKLYEFFEDKGYFYLVGEVYTGGELFDEIISRKRFSEVDAARIIRQVLSGITYMHKNKIVHRDLKPENLLLESKSKDANIRIIDFGLSTHFEASKKMKDKIGTAYYIAPEVLHGTYDEKCDVWSTGVILYILLSGCPPFNGANEYDILKKVEKGKYTFELPQWKKVSESAKDLIRKMLTYVPSMRISARDALDHEWIQTYTKEQISVDVPSLDNAILNIRQFQGTQKLAQAALLYMGSKLTSQDETKELTAIFHKMDKNGDGQLDRAELIEGYKELMRMKGQDASMLDASAVEHEVDQVLDAVDFDKNGYIEYSEFVTVAMDRKTLLSRERLERAFRMFDSDNSGKISSTELATIFGVSDVDSETWKSVLSEVDKNNDGEVDFDEFQQMLLKLCGNLEHHHHHH |
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)
| B: GLN40 GLU45 ARG46 ASN53 ASN55 GLY56 VAL57 SER58 ASP60 THR100 ARG101 GLU102 PHE103 CYS104 SER105 ALA106 TYR107 VAL108 PHE109 LEU110 GLU112 A: ALA342 LEU345 TYR346 SER349 LYS350 THR352 THR357 THR361 PHE364 HIS365 ASP368 GLY371 ASP372 GLY373 GLN374 PHE416 ASP417 ASN419 GLU423 TYR424 SER425 GLU426 PHE467 VAL469 ASP471 THR476 |
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)
