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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 | 0.03 | 1frvD | 0.562 | 3.54 | 0.066 | 0.730 | 0.53 | FEL | complex1.pdb.gz | 127,129,177,180 |
| 2 | 0.03 | 1e3dB | 0.556 | 3.60 | 0.060 | 0.730 | 0.60 | FNE | complex2.pdb.gz | 16,19,95,128,177,180 |
| 3 | 0.01 | 1h2aL | 0.562 | 3.53 | 0.048 | 0.730 | 0.52 | NFE | complex3.pdb.gz | 19,24,131,132,176 |
| 4 | 0.01 | 3myrB | 0.548 | 3.64 | 0.053 | 0.730 | 0.52 | NFV | complex4.pdb.gz | 19,96,130,132,173,176 |
| 5 | 0.01 | 2w6dB | 0.531 | 3.50 | 0.042 | 0.700 | 0.86 | CPL | complex5.pdb.gz | 89,91,134,135,137 |
| 6 | 0.01 | 2wpnB | 0.549 | 3.25 | 0.026 | 0.705 | 0.76 | SBY | complex6.pdb.gz | 86,88,136,139,140 |
| 7 | 0.01 | 2wpnB | 0.549 | 3.25 | 0.026 | 0.705 | 0.52 | FCO | complex7.pdb.gz | 19,96,97,128,129,177,180 |
| 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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