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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 | 0.02 | 2imgA | 0.511 | 2.49 | 0.132 | 0.808 | 0.78 | MLT | complex1.pdb.gz | 36,37,38,39,41,42,43 |
| 2 | 0.01 | 3t05C | 0.511 | 2.05 | 0.083 | 0.702 | 0.53 | PO4 | complex2.pdb.gz | 11,12,13,14,15,18 |
| 3 | 0.01 | 2vba0 | 0.517 | 2.68 | 0.051 | 0.787 | 0.82 | III | complex3.pdb.gz | 35,36,37,39 |
| 4 | 0.01 | 3u0eA | 0.508 | 2.22 | 0.079 | 0.745 | 0.45 | 07K | complex4.pdb.gz | 6,9,11 |
| 5 | 0.01 | 2q5lB | 0.509 | 2.19 | 0.056 | 0.766 | 0.44 | S1T | complex5.pdb.gz | 7,8,9,27 |
| 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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