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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 | 2x2iA | 0.352 | 8.20 | 0.040 | 0.551 | 0.27 | QPS | complex1.pdb.gz | 327,331,332,333,337,339,340 |
| 2 | 0.01 | 3cmvE | 0.290 | 8.65 | 0.045 | 0.473 | 0.20 | ANP | complex2.pdb.gz | 294,297,298,299,325 |
| 3 | 0.01 | 2z5mA | 0.333 | 8.83 | 0.056 | 0.562 | 0.16 | III | complex3.pdb.gz | 295,334,377,380,381 |
| 4 | 0.01 | 2z5nA | 0.366 | 8.57 | 0.053 | 0.602 | 0.12 | III | complex4.pdb.gz | 289,333,676,677 |
| 5 | 0.01 | 3cmvF | 0.284 | 8.11 | 0.035 | 0.441 | 0.20 | ANP | complex5.pdb.gz | 328,331,332,333,347 |
| 6 | 0.01 | 3cmvC | 0.294 | 8.35 | 0.049 | 0.472 | 0.29 | ANP | complex6.pdb.gz | 291,299,300,301,302,315 |
| 7 | 0.01 | 3cmvH | 0.289 | 8.79 | 0.045 | 0.480 | 0.24 | ANP | complex7.pdb.gz | 293,295,296,298,299,300,318 |
| 8 | 0.01 | 1ea0B | 0.326 | 8.50 | 0.039 | 0.528 | 0.13 | FMN | complex8.pdb.gz | 297,337,338,339,340 |
| 9 | 0.01 | 2vdcA | 0.349 | 8.84 | 0.033 | 0.588 | 0.12 | FMN | complex9.pdb.gz | 162,163,164,293,330,331 |
| 10 | 0.01 | 2z5kA | 0.372 | 8.66 | 0.058 | 0.617 | 0.23 | III | complex10.pdb.gz | 331,334,338,634 |
| 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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