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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 | 0.57 | 2ccgA | 0.862 | 2.31 | 0.413 | 0.944 | 1.42 | TMP | Download | 9,13,35,36,47,67,71,93,97,98,101,102 |
| 2 | 0.52 | 5tmpA | 0.929 | 0.98 | 0.387 | 0.958 | 1.54 | Z5A | Download | 9,10,11,12,13,14,36,47,67,71,92,93,97,98,101,102,142,146,152,154,155,162 |
| 3 | 0.43 | 3lv8A | 0.917 | 0.86 | 0.340 | 0.939 | 1.19 | ADP | Download | 10,11,12,13,14,142,187,188,189,192 |
| 4 | 0.10 | 3qejA | 0.745 | 3.25 | 0.145 | 0.939 | 0.80 | UDP | Download | 9,12,13,14,15,188,189,190 |
| 5 | 0.08 | 2cck0 | 0.814 | 2.29 | 0.419 | 0.897 | 1.04 | III | Download | 42,45,49,58,59,61,62,64,65,66,68,69,72,73,108,112,116,119,120,122 |
| 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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