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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 | 2eauA | 0.305 | 7.26 | 0.061 | 0.459 | 0.49 | PTY | complex1.pdb.gz | 237,278,282 |
| 2 | 0.01 | 1ea0A | 0.343 | 8.17 | 0.055 | 0.573 | 0.76 | F3S | complex2.pdb.gz | 237,243,244,245,246,252,257 |
| 3 | 0.01 | 3ar3A | 0.298 | 7.80 | 0.032 | 0.483 | 0.51 | PTY | complex3.pdb.gz | 236,239,240 |
| 4 | 0.01 | 3ar3A | 0.298 | 7.80 | 0.032 | 0.483 | 0.47 | PTY | complex4.pdb.gz | 236,239,243 |
| 5 | 0.01 | 3ar4A | 0.299 | 7.82 | 0.032 | 0.486 | 0.43 | PTY | complex5.pdb.gz | 231,239,243 |
| 6 | 0.01 | 3fgoB | 0.290 | 8.29 | 0.045 | 0.496 | 0.42 | CZA | complex6.pdb.gz | 236,237,239,245,255,261 |
| 7 | 0.01 | 2dqsA | 0.298 | 7.78 | 0.036 | 0.483 | 0.48 | PTY | complex7.pdb.gz | 231,236,243 |
| 8 | 0.01 | 2vdcA | 0.349 | 8.17 | 0.055 | 0.583 | 0.76 | F3S | complex8.pdb.gz | 237,243,244,245,246,252,257 |
| 9 | 0.01 | 1tq2A | 0.410 | 3.97 | 0.101 | 0.467 | 0.42 | GNP | complex9.pdb.gz | 231,232,234,236,237,238,256 |
| 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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