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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 | 0.01 | 2j9tA | 0.490 | 3.92 | 0.079 | 0.694 | 0.67 | BO3 | complex1.pdb.gz | 100,101,106,150,151,154 |
| 2 | 0.01 | 3gm1B | 0.457 | 3.51 | 0.080 | 0.607 | 0.61 | III | complex2.pdb.gz | 98,101,105,154,155,158,162 |
| 3 | 0.01 | 1jqkA | 0.456 | 4.09 | 0.036 | 0.634 | 0.41 | SF4 | complex3.pdb.gz | 101,104,105,154,157 |
| 4 | 0.01 | 1rke1 | 0.397 | 3.44 | 0.058 | 0.519 | 0.58 | III | complex4.pdb.gz | 93,96,99,100,105,106,149,150,153,156,157,160,164 |
| 5 | 0.01 | 1u6hA | 0.328 | 4.51 | 0.051 | 0.497 | 0.44 | III | complex5.pdb.gz | 89,93,96,99,100,103,111,153,157,160,168,171 |
| 6 | 0.01 | 1ydiA | 0.310 | 3.87 | 0.026 | 0.437 | 0.41 | III | complex6.pdb.gz | 94,97,100,103,104,150,151,154,161,168 |
| 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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