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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 | 0.13 | 2euhB | 0.437 | 3.78 | 0.166 | 0.497 | 0.11 | NAP | complex1.pdb.gz | 383,384,437,438,440,441 |
| 2 | 0.12 | 1bxsA | 0.441 | 4.18 | 0.148 | 0.512 | 0.14 | NAD | complex2.pdb.gz | 390,439,441,472,500,529 |
| 3 | 0.01 | 2qe0C | 0.436 | 3.80 | 0.166 | 0.497 | 0.12 | NAP | complex3.pdb.gz | 437,438,440,492,495 |
| 4 | 0.01 | 2id2A | 0.436 | 3.75 | 0.166 | 0.494 | 0.11 | NAP | complex4.pdb.gz | 389,437,438,440,492,494,495 |
| 5 | 0.01 | 2esdA | 0.436 | 3.77 | 0.166 | 0.496 | 0.10 | NAP | complex5.pdb.gz | 386,447,448 |
| 6 | 0.01 | 3rhhD | 0.437 | 3.90 | 0.161 | 0.499 | 0.14 | NAP | complex6.pdb.gz | 42,484,504 |
| 7 | 0.01 | 2vleA | 0.436 | 4.12 | 0.139 | 0.504 | 0.11 | DZN | complex7.pdb.gz | 62,385,388,389,392,439,497 |
| 8 | 0.01 | 2onmI | 0.436 | 4.21 | 0.129 | 0.507 | 0.21 | ADP | complex8.pdb.gz | 488,491,492 |
| 9 | 0.01 | 1uxnA | 0.447 | 4.02 | 0.111 | 0.514 | 0.17 | AMP | complex9.pdb.gz | 386,452,468 |
| 10 | 0.01 | 2o2qA | 0.438 | 4.12 | 0.131 | 0.508 | 0.13 | NAP | complex10.pdb.gz | 385,493,494 |
| 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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