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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 | 0.45 | 1szmA | 0.483 | 2.11 | 0.338 | 0.507 | 1.30 | BI4 | complex1.pdb.gz | 258,259,279,314,330,331,332,333,380,381,383,393,394 |
| 2 | 0.44 | 1atpE | 0.479 | 2.77 | 0.327 | 0.517 | 1.12 | ATP | complex2.pdb.gz | 258,259,260,261,262,263,264,266,279,281,314,330,331,333,337,381,383,393,394 |
| 3 | 0.26 | 1jbpE | 0.481 | 2.62 | 0.325 | 0.517 | 1.18 | III | complex3.pdb.gz | 337,339,343,346,376,378,379,380,397,411,412,413,414,416,443,447,448,449,452,453 |
| 4 | 0.25 | 2gnjA | 0.480 | 2.66 | 0.326 | 0.517 | 1.00 | Y27 | complex4.pdb.gz | 258,260,261,266,279,331,332,333,382,394,395 |
| 5 | 0.25 | 2f7xE | 0.482 | 2.62 | 0.321 | 0.517 | 1.10 | 4EA | complex5.pdb.gz | 260,261,264,265,266,279,281,283,331,332,333,383,393,394,540 |
| 6 | 0.25 | 2uw8A | 0.481 | 2.63 | 0.318 | 0.517 | 1.08 | GVQ | complex6.pdb.gz | 258,259,260,264,265,266,279,337,380,381,393 |
| 7 | 0.24 | 3dndA | 0.484 | 2.51 | 0.324 | 0.517 | 0.88 | LL2 | complex7.pdb.gz | 258,266,279,331,383,393 |
| 8 | 0.18 | 3ag9B | 0.483 | 2.19 | 0.339 | 0.508 | 1.13 | A02 | complex8.pdb.gz | 261,262,263,264,266,279,283,331,332,333,339,376,378,380,383,393,394,397,414,443 |
| 9 | 0.18 | 3nynB | 0.510 | 4.03 | 0.222 | 0.578 | 1.04 | SGV | complex9.pdb.gz | 266,279,330,331,333,337,380,383 |
| 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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