Details
Structure visualisation
Entry information
| Complex | |
| AACDB_ID: | 2694 |
| PDBID: | 6PCU |
| Chains: | B_A |
| Organism: | Rotavirus A, Homo sapiens |
| Method: | XRD |
| Resolution (Å): | 2.40 |
| Reference: | 10.1172/JCI128382 |
| Antibody | |
| Antibody: | scFv9 scFv |
| Antibody mutation: | No |
| INN (Clinical Trial): | |
| Antigen | |
| Antigen: | Rotavirus A Outer capsid protein VP4 |
| Antigen mutation: | No |
| Durg Target: | |
Sequence information
Antibody
Chain: B
Mutation: NULL
| >6PCU_B|Chain B, D[auth E], F[auth H]|Variable domain of antibody scFv9|Homo sapiens (9606) GSQPVLTQPPSASASLGASVTLTCTLSSGYSNYKVDWYQQRPGKGPRFVMRVGTGGIVGSKGDGIADRFSVSGSGLNRSLTIKNIQEEDESDYHCGADHGSGDNFVRVFGGGTKLTVLGGGGSGGGGSGGGGSQVQLQESGPGLVKPSQTLSLTCSVSGVSLSGGSYTWNWIRQPAGKGLEWIGRIFTSGSTNYNPSLKGRLTMSIDTSKNQLSLRLSSVTAADTAVYYCVADYYYSVPDVWGQGTPVTVSS |
Antigen
Chain: A
Mutation: NULL
| >6PCU_A|Chain A, C[auth D], E[auth G]|Outer capsid protein VP4|Rotavirus A (28875) GSILDGPYQPTTFKPPNDYWLLISSNTDGVVYESTNNSDFWTAVIAVEPHVSQTNRQYVLFGENKQFNVENSSDKWKFFEMFKGSSQSDFSNRRTLTSNNRLVGMLKYGGRVWTFHGETPRATTDSSNTADLNNISIIIHSEFYIIPRSQESKCNEYINNGL |
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: ASN32 TYR33 LYS34 ARG51 VAL58 GLY59 SER60 ASP98 GLY100 SER101 GLY102 PHE105 GLY149 GLY150 SER151 THR153 ARG170 PHE172 THR173 SER174 SER176 ASP218 TYR219 TYR220 TYR221 SER222 VAL223 A: THR73 PHE74 LYS75 GLU94 SER95 THR96 ASN97 ASN98 SER99 ASP100 TRP102 PHE122 GLY123 GLU124 ASN125 GLY145 SER146 SER147 GLN148 SER149 ASP150 ALA191 ASP192 ASN194 ASN195 SER197 ILE199 |
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)
