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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 | 2q2nA | 0.526 | 3.89 | 0.037 | 0.779 | 0.12 | H01 | complex1.pdb.gz | 27,72,73,74,78,81 |
| 2 | 0.01 | 3p9iA | 0.510 | 3.80 | 0.074 | 0.721 | 0.21 | SAH | complex2.pdb.gz | 30,38,48,49,72,73 |
| 3 | 0.01 | 2o07B | 0.512 | 3.83 | 0.060 | 0.743 | 0.17 | MTA | complex3.pdb.gz | 71,72,82,84,85 |
| 4 | 0.01 | 2o06B | 0.510 | 3.88 | 0.060 | 0.743 | 0.21 | PUT | complex4.pdb.gz | 73,74,75,126 |
| 5 | 0.01 | 2yqzA | 0.528 | 3.45 | 0.026 | 0.729 | 0.21 | SAM | complex5.pdb.gz | 35,36,48,51 |
| 6 | 0.01 | 3o8lB | 0.516 | 4.17 | 0.059 | 0.764 | 0.15 | ATP | complex6.pdb.gz | 44,45,46,48,49 |
| 7 | 0.01 | 3o8nB | 0.519 | 4.16 | 0.074 | 0.764 | 0.18 | ADP | complex7.pdb.gz | 77,78,81 |
| 8 | 0.01 | 2e5wA | 0.527 | 3.45 | 0.038 | 0.743 | 0.19 | MTA | complex8.pdb.gz | 78,103,104,105 |
| 9 | 0.01 | 2q3jA | 0.524 | 3.94 | 0.055 | 0.779 | 0.14 | H02 | complex9.pdb.gz | 39,73,76 |
| 10 | 0.01 | 1kyzC | 0.508 | 3.95 | 0.028 | 0.729 | 0.19 | SAH | complex10.pdb.gz | 40,41,74,75 |
| 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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