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 |
|---|---|---|
|
0.77
|
100.00
|
100.00
|
Visualization
| Reference | Molecule |
|
|
|
| Line Number | Reference 3ldx_referencia Elements | X | Y | Z | Molecule 3ldx_docking Elements | X | Y | Z |
|---|---|---|---|---|---|---|---|---|
| 1 | C | 19.7621 | -13.3249 | 19.8073 | C | 19.9773 | -13.3554 | 20.0927 |
| 2 | C | 19.0656 | -14.04 | 20.9303 | C | 19.1983 | -14.1687 | 21.1188 |
| 3 | C | 19.499 | -15.2317 | 21.3551 | C | 19.7184 | -15.2767 | 21.6872 |
| 4 | N | 18.9476 | -15.9792 | 22.3569 | N | 19.0695 | -15.9117 | 22.5679 |
| 5 | C | 17.9099 | -15.4898 | 22.9676 | C | 17.9601 | -15.5042 | 23.0395 |
| 6 | C | 17.3479 | -14.1271 | 22.591 | C | 17.2506 | -14.3091 | 22.4485 |
| 7 | N | 17.9676 | -13.4704 | 21.5413 | N | 17.9147 | -13.6689 | 21.4482 |
| 8 | C | 17.4266 | -12.1609 | 21.158 | C | 17.3644 | -12.4483 | 20.8022 |
| 9 | C | 16.09 | -12.3539 | 20.4636 | C | 15.897 | -12.5433 | 20.3687 |
| 10 | O | 15.8101 | -13.3583 | 19.8228 | O | 15.523 | -13.4389 | 19.6136 |
| 11 | N | 15.2495 | -11.2694 | 20.6338 | N | 15.0895 | -11.6131 | 20.8875 |
| 12 | C | 13.8795 | -11.2584 | 20.1541 | C | 13.6365 | -11.632 | 20.8697 |
| 13 | C | 12.9477 | -10.6323 | 21.1802 | C | 13.1668 | -11.8391 | 22.3097 |
| 14 | O | 12.9276 | -11.4556 | 22.353 | O | 11.7553 | -11.8999 | 22.3496 |
| 15 | N | 12.1784 | -10.817 | 23.3023 | N | 11.3377 | -12.9332 | 23.206 |
| 16 | C | 11.2376 | -11.5078 | 24.0378 | C | 10.6959 | -12.4603 | 24.2869 |
| 17 | N | 11.0481 | -12.8514 | 23.8443 | N | 10.1711 | -13.333 | 25.145 |
| 18 | N | 10.4814 | -10.847 | 24.9704 | N | 10.5711 | -11.1487 | 24.5127 |
| 19 | O | 16.3861 | -13.7235 | 23.2346 | O | 16.1486 | -13.9666 | 22.8875 |
| 20 | N | 17.2427 | -16.1375 | 23.9915 | N | 17.3714 | -16.1155 | 24.0867 |
| 21 | C | 17.6952 | -17.3751 | 24.6271 | C | 17.9267 | -17.2404 | 24.8582 |
| 22 | C | 18.3963 | -17.1041 | 25.9646 | C | 18.5644 | -16.7772 | 26.1838 |
| 23 | F | 17.4787 | -16.5582 | 26.8135 | F | 17.6378 | -16.1296 | 26.8935 |
| 24 | C | 19.6276 | -16.2418 | 25.8177 | C | 19.8152 | -15.917 | 26.0178 |
| 25 | C | 19.6021 | -14.897 | 26.1724 | C | 19.835 | -14.5725 | 26.4501 |
| 26 | C | 20.7244 | -14.1054 | 26.0186 | C | 20.9859 | -13.7815 | 26.2834 |
| 27 | C | 21.889 | -14.6442 | 25.5097 | C | 22.1363 | -14.3324 | 25.6871 |
| 28 | C | 21.9297 | -15.9784 | 25.1573 | C | 22.1321 | -15.6741 | 25.2622 |
| 29 | C | 20.8092 | -16.7726 | 25.3117 | C | 20.9759 | -16.4624 | 25.4259 |
| 30 | F | 18.6988 | -18.3133 | 26.515 | F | 18.9069 | -17.8665 | 26.8724 |