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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 | 0.06 | 3fcsA | 0.539 | 6.19 | 0.141 | 0.674 | 0.52 | UUU | complex1.pdb.gz | 479,481,510 |
| 2 | 0.03 | 3ijeA | 0.515 | 6.67 | 0.164 | 0.656 | 1.03 | UUU | complex2.pdb.gz | 488,490,501,502,504 |
| 3 | 0.01 | 3i7oA | 0.324 | 7.32 | 0.062 | 0.428 | 0.50 | III | complex3.pdb.gz | 403,407,421,463,515,649,666 |
| 4 | 0.01 | 3i7pA | 0.325 | 7.43 | 0.062 | 0.432 | 0.42 | III | complex4.pdb.gz | 33,403,406,514,516,649 |
| 5 | 0.01 | 3i8eB | 0.324 | 7.38 | 0.066 | 0.430 | 0.52 | III | complex5.pdb.gz | 33,40,59,404,406,463,515,517,577,599,649,666 |
| 6 | 0.01 | 2vc2A | 0.268 | 3.63 | 0.161 | 0.289 | 0.41 | 180 | complex6.pdb.gz | 418,419,461,481 |
| 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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