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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 | 0.20 | 3nmxA | 0.777 | 3.07 | 0.158 | 0.970 | 0.81 | III | complex1.pdb.gz | 45,50,75,79,82,83,86,91,116,117,120,123,124,127 |
| 2 | 0.17 | 1jppB | 0.787 | 3.42 | 0.164 | 0.965 | 0.79 | III | complex2.pdb.gz | 38,41,45,79,83,85,91,124 |
| 3 | 0.16 | 1ejlI | 0.822 | 2.83 | 0.096 | 0.980 | 0.72 | III | complex3.pdb.gz | 44,45,50,76,79,83,86,87,120,124 |
| 4 | 0.15 | 1q1tC | 0.822 | 2.62 | 0.087 | 0.970 | 0.74 | III | complex4.pdb.gz | 38,42,44,45,46,51,76,79,82,83,85,117,120,124,127 |
| 5 | 0.04 | 1t080 | 0.793 | 3.20 | 0.137 | 0.980 | 1.05 | III | complex5.pdb.gz | 83,86,112,116,117,119,123,124 |
| 6 | 0.04 | 2gl7A | 0.776 | 2.98 | 0.141 | 0.955 | 1.02 | III | complex6.pdb.gz | 65,68,70,72,73,80,84,87 |
| 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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