Understanding TCR-pMHC binding could be crucial for the efficient development of immunotherapies.
This benchmark consists of 17 MHC class 1 cases, which all have combinations of TRAV-TRBV and were released after AF3's cut-off date, 30-09-2021. It was created to have as little evolutional relatedness to AF3's training data as possible. The unseen columns refers to the fact that these specific parts of the structure are not present in AF3's training data.
| PDB ID | MHC Name | TRAV gene | TRBV gene | Docking angle | Unseen TRAV | Unseen TRBV | Unseen MHC | Unseen TRAV_TRBV |
|---|---|---|---|---|---|---|---|---|
| 7L1D | HLA-A*03 | TRAV12-2 | TRBV9 | 47.4 | X | X | ||
| 7NA5 | H2-Db | TRAV7-1 | TRBV2 | 57.2 | X | X | X | |
| 7PBC | HLA-A*02 | TRAV12-2 | TRBV6-3 | 30.7 | X | X | ||
| 7PBE | HLA-A*02 | TRAV12-1 | TRBV7-9 | 51.7 | X | |||
| 7PDW | HLA-A*02 | TRAV12-2 | TRBV6-2 | 33.2 | X | |||
| 7PHR | HLA-A*02 | TRAV17 | TRBV19 | 43.0 | X | |||
| 7QPJ | HLA-A*02 | TRAV12-2 | TRBV6-6 | 34.1 | X | X | ||
| 7RK7 | HLA-A*02 | TRAV4 | TRBV10-3 | 80.7 | X | |||
| 7RM4 | HLA-A*02 | TRAV6 | TRBV11-2 | 35.3 | X | X | ||
| 7RRG | HLA-A*03 | TRAV4 | TRBV11-2 | 73.8 | X | X | ||
| 8D5Q | H2-Ld | TRAV6-7/DV9 | TRBV1 | 31.2 | X | X | ||
| 8DNT | HLA-A*02 | TRAV12-2 | TRBV7-2 | 31.4 | X | |||
| 8I5C | HLA-A*11 | TRAV7-2 | TRBV13-2 | 47.7 | X | X | ||
| 8I5D | HLA-A*11 | TRAV8-1 | TRBV16 | 44.5 | X | X | ||
| 8SHI | HLA-C*06 | TRAV17 | TRBV6-5 | 21.4 | X | X | ||
| 8WTE | HLA-A*11 | TRAV7-2 | TRBV2 | 64.1 | X | X | X | |
| 8WUL | HLA-A*11 | TRAV7-2 | TRBV2 | 64.4 | X | X | X |