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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 | 1ao70 | 0.455 | 2.43 | 0.191 | 0.513 | 0.66 | III | complex1.pdb.gz | 55,57,59,65,67,70,72,113 |
| 2 | 0.02 | 2pyeD | 0.476 | 3.19 | 0.130 | 0.562 | 0.72 | III | complex2.pdb.gz | 32,33,34,35,36,38 |
| 3 | 0.02 | 2p5eD | 0.475 | 3.22 | 0.131 | 0.562 | 0.68 | III | complex3.pdb.gz | 37,100,101,104,105,106 |
| 4 | 0.02 | 2f53D | 0.480 | 3.06 | 0.122 | 0.558 | 0.72 | III | complex4.pdb.gz | 31,32,33,34,37,39 |
| 5 | 0.02 | 3sdxG | 0.473 | 3.13 | 0.112 | 0.558 | 0.63 | GCY | complex5.pdb.gz | 50,51,52,115 |
| 6 | 0.01 | 1bd2D | 0.478 | 2.91 | 0.073 | 0.554 | 0.66 | III | complex6.pdb.gz | 52,54,55,112 |
| 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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