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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 | 0.35 | 2dq7X | 0.393 | 3.55 | 0.206 | 0.450 | 1.03 | STU | complex1.pdb.gz | 272,275,281,294,296,366,367,368,369,372,421,432 |
| 2 | 0.34 | 3c4xB | 0.484 | 5.49 | 0.192 | 0.628 | 1.22 | ATP | complex2.pdb.gz | 273,274,276,277,281,294,296,367,369,421,432 |
| 3 | 0.33 | 2of2A | 0.397 | 3.85 | 0.203 | 0.463 | 0.82 | 547 | complex3.pdb.gz | 273,281,294,367,368,369,372,422 |
| 4 | 0.15 | 3bymA | 0.397 | 3.85 | 0.198 | 0.463 | 0.89 | AM0 | complex4.pdb.gz | 273,281,295,297,308,312,321,367,368,369,421,432 |
| 5 | 0.15 | 3geqA | 0.399 | 3.85 | 0.191 | 0.463 | 0.91 | PP2 | complex5.pdb.gz | 272,281,294,296,312,364,366,367,369,373,422 |
| 6 | 0.13 | 2qq7A | 0.374 | 3.61 | 0.192 | 0.428 | 0.80 | SR2 | complex6.pdb.gz | 308,364,366,367,369,372,421,432 |
| 7 | 0.13 | 3krwA | 0.473 | 5.38 | 0.159 | 0.615 | 1.05 | BA1 | complex7.pdb.gz | 273,274,275,276,277,278,279,281,294,296,298,308,321,367,368,369,421,431,432,434 |
| 8 | 0.09 | 3pvwA | 0.466 | 5.73 | 0.139 | 0.628 | 0.84 | QRX | complex8.pdb.gz | 273,276,280,281,296,304,321,367,421,431,432,434,435 |
| 9 | 0.07 | 3f3uA | 0.372 | 4.20 | 0.177 | 0.445 | 1.05 | 1AW | complex9.pdb.gz | 273,274,275,276,279,280,281,294,368,369,372,373 |
| 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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