Details
Structure visualisation
Entry information
| Complex | |
| AACDB_ID: | 5178 |
| PDBID: | 7UNY |
| Chains: | C_A |
| Organism: | Plasmodium falciparum, Vicugna pacos |
| Method: | XRD |
| Resolution (Å): | 4.13 |
| Reference: | 10.1038/s41564-022-01261-2 |
| Antibody | |
| Antibody: | D2 VHH |
| Antibody mutation: | No |
| INN (Clinical Trial): | |
| Antigen | |
| Antigen: | P. falciparum cysteine-rich small secreted protein |
| Antigen mutation: | Yes |
| Durg Target: | |
Sequence information
Antibody
Chain: C
Mutation: NULL
| >7UNY_C|Chain C[auth B], D[auth C]|D2 Nanobody|Vicugna pacos (30538) QVQLQESGGGLVQAGGSLRLSCAASGRTFSSYAMGWFRQAPGKEREFVAAISYSGSNTYDADSVKGRFAISRDNAKNTVYLQMNSLKPEDTAVYYCAAAGVYSGTYTDTEFDYWGQGTQVTVSSHHHHHH |
Antigen
Chain: A
Mutation: T245A
| >7UNY_A|Chain A, B[auth D]|Cysteine-rich small secreted protein CSS|Plasmodium falciparum (5833) GTQDEKSVKNICVCDFTDKLNFLPLEKTKILCELKPQYGEDIKIIANKEYEINCMNNSKVFCPLKDTFINNTNIKLYSPKLHFEIKDITHKGKNAALYYLKIDEEASDIFFSCSIKPKQVSGLLEGEVRVNLKKHINEEYSIFNEEEDVHVCDFSKGNLDITPSAGFYLKNSRNVSCIYRVIPNKLFLIKLPKLDIVTEKLLPSIVNCLSEFSFINFTLKHVQEGDNYISFNVIFGEFKKHFNLACSLDLSDFQQEPCNLGKTANITFIFSKLENLYFQGDYKDDDDKH |
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)
| C: ARG27 SER30 SER31 TYR32 ARG45 TYR52 SER53 SER55 ASN56 TYR58 ASN73 GLY96 VAL97 TYR98 SER99 PHE100 ASP101 TYR102 TRP103 A: GLY19 THR20 GLN21 GLU23 LYS45 LYS47 LEU49 GLU51 LYS53 LYS77 PHE79 LYS83 ASP84 THR85 PHE86 ASN88 PHE128 SER130 GLU145 ARG147 PHE185 LEU187 LYS188 ASN189 |
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)
