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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 | 0.09 | 2c3eA | 0.861 | 1.38 | 0.210 | 0.894 | 1.32 | CDL | complex1.pdb.gz | 24,27,31,79,80,81,83,86,90,91,157,158,159,160 |
| 2 | 0.06 | 2c3eA | 0.861 | 1.38 | 0.210 | 0.894 | 1.27 | CDL | complex2.pdb.gz | 43,61,62,63,232,282,283,284,285,286,287 |
| 3 | 0.05 | 2c3eA | 0.861 | 1.38 | 0.210 | 0.894 | 0.92 | CXT | complex3.pdb.gz | 26,29,30,88,89,92,93,136,139,140,143 |
| 4 | 0.01 | 2ckjC | 0.385 | 6.22 | 0.046 | 0.625 | 0.90 | FES | complex4.pdb.gz | 176,177,178,180,242,243,244,245 |
| 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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