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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 | 0.36 | 1y2aC | 0.854 | 2.67 | 0.148 | 0.948 | 1.00 | III | complex1.pdb.gz | 119,122,123,126,156,160,164,166,167,168,172,198,201,205,209,240,244,247 |
| 2 | 0.35 | 3rz9A | 0.859 | 2.55 | 0.148 | 0.948 | 0.82 | III | complex2.pdb.gz | 81,82,84,119,123,125,126,131,157,160,164,167,168,198,202,207,240,244 |
| 3 | 0.21 | 1bk6A | 0.867 | 2.79 | 0.123 | 0.968 | 1.07 | III | complex3.pdb.gz | 81,82,83,119,123,126,131,157,160,164,168,200,205 |
| 4 | 0.20 | 1q1sC | 0.855 | 2.64 | 0.148 | 0.948 | 1.03 | III | complex4.pdb.gz | 82,123,125,126,131,160,163,164,167,198,201,205,208 |
| 5 | 0.18 | 1jpwA | 0.774 | 3.53 | 0.123 | 0.918 | 0.94 | III | complex5.pdb.gz | 122,156,157,163,164,194,198,201,231,233 |
| 6 | 0.14 | 3btrC | 0.854 | 2.63 | 0.148 | 0.948 | 0.83 | III | complex6.pdb.gz | 71,79,81,82,84,85,89,116,119,123,126,152,156,160,164,167,194,197,198,233 |
| 7 | 0.09 | 1un0A | 0.870 | 2.81 | 0.117 | 0.971 | 1.04 | III | complex7.pdb.gz | 119,122,123,126,157,160,164,167,168,197,201,207,208,209,213,236,237,240,243,244,246,247,251,279,282 |
| 8 | 0.07 | 2gl7D | 0.772 | 3.49 | 0.113 | 0.918 | 0.85 | III | complex8.pdb.gz | 115,122,123,151,153,157,160,192,194,197,236 |
| 9 | 0.06 | 3l6yE | 0.775 | 3.12 | 0.118 | 0.901 | 0.94 | III | complex9.pdb.gz | 35,61,63,67,71,73,75,76,78,79,82,84,89,122,123,126,131,160,163,164,167,172,205,233 |
| 10 | 0.05 | 1qz7A | 0.771 | 3.41 | 0.120 | 0.915 | 0.98 | III | complex10.pdb.gz | 112,115,116,119,122,123,151,153,157,195,198 |
| 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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