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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 | 0.03 | 3puvF | 0.533 | 2.94 | 0.092 | 0.613 | 0.78 | MAL | Download | 149,208,211,212,215,248,252,255 |
| 2 | 0.01 | 3ar4A | 0.395 | 6.07 | 0.031 | 0.622 | 0.63 | PTY | Download | 141,149,153 |
| 3 | 0.01 | 2dqsA | 0.427 | 5.85 | 0.073 | 0.640 | 0.62 | PTY | Download | 149,153,160 |
| 4 | 0.01 | 2agvA | 0.396 | 6.15 | 0.035 | 0.622 | 0.68 | PTY | Download | 96,121,126,129,130 |
| 5 | 0.01 | 3ar3A | 0.396 | 6.04 | 0.035 | 0.616 | 0.62 | PTY | Download | 142,145,149,153 |
| 6 | 0.01 | 2voyK | 0.089 | 1.39 | 0.094 | 0.092 | 1.15 | III | Download | 123,127,130,131,138 |
| 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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