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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 | 0.35 | 1pwbA | 0.494 | 2.26 | 0.285 | 0.545 | 1.18 | GLC | complex1.pdb.gz | 238,240,246,258,259 |
| 2 | 0.29 | 1hupA | 0.476 | 1.83 | 0.277 | 0.509 | 1.46 | CA | complex2.pdb.gz | 213,217,241,246,247 |
| 3 | 0.21 | 2ggxB | 0.494 | 2.26 | 0.285 | 0.545 | 1.37 | NPJ | complex3.pdb.gz | 238,240,242,246,252,253,254,258,259,260 |
| 4 | 0.09 | 1xarB | 0.435 | 2.47 | 0.218 | 0.473 | 1.23 | NA | complex4.pdb.gz | 220,240,241,246,247,259 |
| 5 | 0.09 | 3pakA | 0.451 | 2.75 | 0.245 | 0.513 | 1.02 | NA | complex5.pdb.gz | 242,243,244,245,246,247,259 |
| 6 | 0.04 | 1ytt0 | 0.398 | 1.33 | 0.322 | 0.415 | 0.93 | III | complex6.pdb.gz | 159,160,161,162,163,179,180,272 |
| 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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