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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 | 0.06 | 3rlbB | 0.623 | 2.83 | 0.133 | 0.741 | 0.61 | VIB | Download | 22,50,51,79,83,87 |
| 2 | 0.03 | 3rlbA | 0.621 | 2.78 | 0.127 | 0.737 | 0.70 | VIB | Download | 114,115,158,162,166,170 |
| 3 | 0.01 | 1c4aA | 0.444 | 5.66 | 0.079 | 0.759 | 0.73 | FES | Download | 46,49,51,77,78,79,96,98 |
| 4 | 0.01 | 1c4cA | 0.445 | 5.71 | 0.093 | 0.763 | 0.64 | SF4 | Download | 48,81,82,83,91 |
| 5 | 0.01 | 2nwxB | 0.409 | 5.18 | 0.053 | 0.638 | 0.53 | ASP | Download | 18,95,120,123,124,127 |
| 6 | 0.01 | 2nwlA | 0.382 | 5.38 | 0.053 | 0.625 | 0.54 | ASP | Download | 94,98,116,119,120,123 |
| 7 | 0.01 | 3chxB | 0.464 | 3.92 | 0.051 | 0.612 | 0.56 | III | Download | 75,82,91 |
| 8 | 0.01 | 1uf2A | 0.438 | 5.45 | 0.063 | 0.719 | 0.55 | III | Download | 78,79,123,127,130 |
| 9 | 0.01 | 1ywfA | 0.429 | 5.46 | 0.070 | 0.696 | 0.52 | PO4 | Download | 93,118,121,122,123,124 |
| 10 | 0.01 | 2nwwC | 0.365 | 5.42 | 0.050 | 0.598 | 0.58 | TB1 | Download | 54,94,97,98,101 |
| 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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