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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 | 3ar7A | 0.348 | 5.06 | 0.063 | 0.545 | 0.70 | PTY | complex1.pdb.gz | 156,161,164 |
| 2 | 0.01 | 2agvA | 0.349 | 5.29 | 0.056 | 0.554 | 0.42 | BHQ | complex2.pdb.gz | 124,159,162,164 |
| 3 | 0.01 | 2w6dB | 0.423 | 5.18 | 0.077 | 0.668 | 0.49 | CPL | complex3.pdb.gz | 158,159,161,162,163,165,166,184,187 |
| 4 | 0.01 | 3ar4A | 0.345 | 5.08 | 0.056 | 0.540 | 0.62 | PTY | complex4.pdb.gz | 156,163,167 |
| 5 | 0.01 | 3ar3A | 0.347 | 5.12 | 0.056 | 0.545 | 0.62 | PTY | complex5.pdb.gz | 157,160,164,168 |
| 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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