LigRMSD: A web server for automatic structure matching and RMSD calculations among identical and similar compounds in protein-ligand docking
3D viewer superposition
Results
| RMSD | Percent of ref match | Percent of molecule match |
|---|---|---|
|
1.79
|
60.00
|
66.67
|
Visualization
| Reference | Molecule |
|
|
|
| Line Number | Reference 2r2m_reference Elements | X | Y | Z | Molecule 1t4v_docking Elements | X | Y | Z |
|---|---|---|---|---|---|---|---|---|
| 1 | N | 17.349 | -16.196 | 24.172 | C | 18.192 | -16.1726 | 23.0957 |
| 2 | C | 18.01 | -15.482 | 23.083 | C | 18.1407 | -14.9717 | 22.1943 |
| 3 | C | 19.298 | -15.911 | 22.654 | C | 19.2995 | -14.5558 | 21.4941 |
| 4 | C | 19.961 | -15.227 | 21.618 | C | 19.2084 | -13.5134 | 20.5542 |
| 5 | C | 19.334 | -14.117 | 21.009 | C | 17.9778 | -12.9094 | 20.3014 |
| 6 | C | 18.05 | -13.686 | 21.432 | C | 16.8257 | -13.2816 | 20.9972 |
| 7 | C | 17.389 | -14.375 | 22.477 | C | 16.9009 | -14.3342 | 21.9418 |
| 8 | C | 17.429 | -12.468 | 20.738 | O | 15.7122 | -12.5488 | 20.6793 |
| 9 | C | 15.911 | -12.625 | 20.643 | C | 14.4957 | -12.8205 | 21.333 |
| 10 | N | 15.038 | -11.486 | 20.898 | C | 13.5788 | -11.6531 | 20.956 |
| 11 | C | 13.596 | -11.628 | 20.712 | C | 12.1711 | -11.8333 | 21.5015 |
| 12 | C | 12.915 | -10.474 | 21.453 | O | 12.2471 | -11.9123 | 22.9095 |
| 13 | O | 12.832 | -10.821 | 22.809 | N | 11.3711 | -12.8962 | 23.3897 |
| 14 | N | 12.353 | -12.083 | 23.185 | C | 10.7112 | -12.4432 | 24.4652 |
| 15 | C | 11.282 | -11.893 | 24.144 | N | 10.5711 | -11.1369 | 24.7127 |
| 16 | C | 17.992 | -17.4 | 24.685 | N | 19.0755 | -16.2325 | 24.1312 |
| 17 | C | 18.595 | -17.103 | 26.071 | C | 19.2565 | -17.521 | 24.8371 |
| 18 | F | 18.883 | -18.303 | 26.648 | C | 20.1677 | -18.5015 | 24.1025 |