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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 | 1xwjA | 0.238 | 6.18 | 0.044 | 0.418 | 0.15 | III | Download | 142,145,146,232 |
| 2 | 0.01 | 2ibfA | 0.267 | 6.59 | 0.042 | 0.486 | 0.21 | III | Download | 135,138,139,142,143,146,217,220,224,228,231 |
| 3 | 0.01 | 1gm8B | 0.416 | 5.41 | 0.076 | 0.667 | 0.35 | SOX | Download | 9,23,24 |
| 4 | 0.01 | 2yv5A | 0.418 | 4.82 | 0.090 | 0.615 | 0.30 | GDP | Download | 56,57,58 |
| 5 | 0.01 | 1zvzA | 0.238 | 6.30 | 0.053 | 0.414 | 0.20 | III | Download | 140,143,146,147,195,224,228 |
| 6 | 0.01 | 1zw2A | 0.240 | 5.74 | 0.045 | 0.398 | 0.18 | III | Download | 34,95,102 |
| 7 | 0.01 | 3s90B | 0.257 | 5.52 | 0.047 | 0.394 | 0.25 | III | Download | 139,142,145,146,224,228,231,232 |
| 8 | 0.01 | 2aw45 | 0.184 | 4.80 | 0.074 | 0.273 | 0.32 | III | Download | 9,28,31 |
| 9 | 0.01 | 1pnlB | 0.413 | 5.38 | 0.056 | 0.651 | 0.15 | PAC | Download | 7,8,22 |
| 10 | 0.01 | 2gwwA | 0.277 | 5.99 | 0.056 | 0.466 | 0.19 | III | Download | 167,168,232 |
| 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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