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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 | 1wpgA | 0.296 | 5.98 | 0.049 | 0.512 | 0.14 | ADP | complex1.pdb.gz | 90,111,123,124 |
| 2 | 0.01 | 2eatA | 0.361 | 5.64 | 0.033 | 0.605 | 0.16 | CZA | complex2.pdb.gz | 121,122,123 |
| 3 | 0.01 | 3ar3A | 0.361 | 5.62 | 0.052 | 0.609 | 0.23 | ADP | complex3.pdb.gz | 87,88,89,109,110 |
| 4 | 0.01 | 3nalA | 0.356 | 5.77 | 0.042 | 0.614 | 0.20 | DBK | complex4.pdb.gz | 73,75,76,79,80,83 |
| 5 | 0.01 | 2c88A | 0.359 | 5.67 | 0.019 | 0.595 | 0.14 | ACP | complex5.pdb.gz | 95,110,111,122 |
| 6 | 0.01 | 2easA | 0.335 | 5.28 | 0.056 | 0.521 | 0.15 | CZA | complex6.pdb.gz | 121,122,124,125 |
| 7 | 0.01 | 2eauA | 0.332 | 5.71 | 0.059 | 0.553 | 0.17 | PTY | complex7.pdb.gz | 89,91,94 |
| 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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