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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 | 2wdcA | 0.398 | 5.85 | 0.048 | 0.719 | 0.20 | GOL | complex1.pdb.gz | 23,24,26,27 |
| 2 | 0.01 | 3a5vA | 0.408 | 5.25 | 0.033 | 0.685 | 0.34 | UUU | complex2.pdb.gz | 25,26,33,38,39 |
| 3 | 0.01 | 2gagA | 0.413 | 5.21 | 0.050 | 0.680 | 0.38 | FOA | complex3.pdb.gz | 27,32,33 |
| 4 | 0.01 | 3ivdA | 0.406 | 5.73 | 0.021 | 0.734 | 0.15 | URI | complex4.pdb.gz | 29,32,36,38 |
| 5 | 0.01 | 1qi3A | 0.423 | 4.97 | 0.034 | 0.690 | 0.13 | MTT | complex5.pdb.gz | 39,92,93,94,96,97 |
| 6 | 0.01 | 2zq0A | 0.429 | 5.26 | 0.050 | 0.729 | 0.11 | ACR | complex6.pdb.gz | 18,23,24,82,86,151 |
| 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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