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Template proteins with similar binding site:
Click to view | Rank | CscoreLB | PDB Hit | TM-score | RMSDa | IDENa | Cov. | BS-score | Lig. Name | Download Complex | Predicted binding site residues |
| 1 | 0.01 | 2nm1A | 0.193 | 8.26 | 0.035 | 0.347 | 0.20 | III | complex1.pdb.gz | 369,370,371,372,396 |
| 2 | 0.01 | 3cmvD | 0.296 | 7.97 | 0.058 | 0.499 | 0.19 | ANP | complex2.pdb.gz | 389,402,405 |
| 3 | 0.01 | 3cmvE | 0.326 | 8.02 | 0.040 | 0.561 | 0.17 | ANP | complex3.pdb.gz | 376,377,383,385,386 |
| 4 | 0.01 | 2np0A | 0.350 | 7.62 | 0.038 | 0.561 | 0.19 | III | complex4.pdb.gz | 367,369,370,371,410,435,436 |
| 5 | 0.01 | 3cmxA | 0.283 | 7.77 | 0.026 | 0.463 | 0.12 | ALF | complex5.pdb.gz | 373,374,459 |
| 6 | 0.01 | 3cmxD | 0.334 | 7.81 | 0.043 | 0.563 | 0.12 | ALF | complex6.pdb.gz | 387,388,459 |
| 7 | 0.01 | 1i1eA | 0.348 | 7.46 | 0.038 | 0.552 | 0.30 | DM2 | complex7.pdb.gz | 372,373,394,395 |
| 8 | 0.01 | 3cmvE | 0.326 | 8.02 | 0.040 | 0.561 | 0.18 | ANP | complex8.pdb.gz | 371,372,388 |
| 9 | 0.01 | 1qvrA | 0.328 | 8.08 | 0.042 | 0.564 | 0.19 | ANP | complex9.pdb.gz | 372,391,392,393,394,395 |
| Click on the radio buttons to visualize predicted binding site and residues. |
(a) | CscoreLB is the confidence score of predicted binding site. CscoreLB values range in between [0-1]; where a higher score indicates a more reliable ligand-binding site prediction. |
(b) | BS-score is a measure of local similarity (sequence & structure) between template binding site and predicted binding site in the query structure. Based on large scale benchmarking analysis, we have observed that a BS-score >1 reflects a significant local match between the predicted and template binding site.
| (c) | TM-score is a measure of global structural similarity between query and template protein. |
(d) | RMSDa the RMSD between residues that are structurally aligned by TM-align. |
(e) | IDENa is the percentage sequence identity in the structurally aligned region. |
(f) | Cov. represents the coverage of global structural alignment and is equal to the number of structurally aligned residues divided by length of the query protein. |
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