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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 | 0.45 | 2p39A | 0.560 | 0.63 | 1.000 | 0.566 | 1.73 | SCR | complex1.pdb.gz | 47,48,49,139,140,141,154 |
| 2 | 0.04 | 1ihk0 | 0.489 | 2.69 | 0.268 | 0.546 | 1.05 | III | complex2.pdb.gz | 38,40,43,52,66,122,123,158,159,160,161,162,167 |
| 3 | 0.04 | 1iil0 | 0.470 | 1.84 | 0.262 | 0.502 | 1.15 | III | complex3.pdb.gz | 43,45,49,52,65,75,76,77,78,79,80,83,84,93,108,117,119,120,122,123,124,125,158,160 |
| 4 | 0.02 | 3aj5B | 0.564 | 4.44 | 0.056 | 0.773 | 0.98 | NGA | complex4.pdb.gz | 95,96,97,102,104,108,110,112 |
| 5 | 0.01 | 3akiA | 0.451 | 3.67 | 0.057 | 0.550 | 0.89 | AH8 | complex5.pdb.gz | 56,57,58,59,88,93 |
| 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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