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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 | 0.60 | 3rzfA | 0.564 | 5.29 | 0.380 | 0.709 | 1.51 | XNM | complex1.pdb.gz | 21,29,42,95,96,97,98,101,102,105,151 |
| 2 | 0.56 | 3eh9A | 0.318 | 3.43 | 0.257 | 0.348 | 1.55 | ADP | complex2.pdb.gz | 21,22,23,24,25,27,29,42,44,74,96,98,102,148,151,164,165 |
| 3 | 0.49 | 2ckeB | 0.330 | 3.75 | 0.239 | 0.366 | 1.11 | IQU | complex3.pdb.gz | 21,22,29,42,74,97,99,151 |
| 4 | 0.47 | 1wvxA | 0.318 | 3.48 | 0.261 | 0.349 | 1.32 | BD4 | complex4.pdb.gz | 22,23,28,42,74,95,96,97,98,99,102,148,151 |
| 5 | 0.46 | 2j90A | 0.291 | 3.74 | 0.244 | 0.322 | 1.37 | IZA | complex5.pdb.gz | 21,24,29,42,44,74,95,96,97,98,164,165 |
| 6 | 0.21 | 2owbA | 0.333 | 3.42 | 0.226 | 0.362 | 1.27 | 626 | complex6.pdb.gz | 19,20,21,23,24,27,28,29,42,44,96,98,99,101,151 |
| 7 | 0.21 | 2ckeA | 0.330 | 3.75 | 0.235 | 0.366 | 1.18 | IQU | complex7.pdb.gz | 21,22,24,28,42,96,98,164 |
| 8 | 0.18 | 3lj1B | 0.336 | 4.86 | 0.185 | 0.395 | 1.44 | DKI | complex8.pdb.gz | 21,22,23,29,42,96,98,100,105,148,151,164 |
| 9 | 0.16 | 3fbvE | 0.342 | 4.97 | 0.187 | 0.404 | 1.21 | APJ | complex9.pdb.gz | 24,42,95,96,98,100,151,165 |
| 10 | 0.06 | 3op5B | 0.327 | 4.08 | 0.140 | 0.373 | 0.87 | REB | complex10.pdb.gz | 21,22,23,29,42,44,95,96,98 |
| 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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