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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 | 2y0pA | 0.380 | 6.94 | 0.052 | 0.660 | 0.15 | TD7 | complex1.pdb.gz | 26,45,46,89,93 |
| 2 | 0.01 | 2x2iD | 0.390 | 7.38 | 0.039 | 0.723 | 0.25 | QPS | complex2.pdb.gz | 9,46,47,96 |
| 3 | 0.01 | 1t3tA | 0.407 | 6.79 | 0.042 | 0.694 | 0.13 | ADP | complex3.pdb.gz | 248,266,267,288 |
| 4 | 0.01 | 3m1cA | 0.381 | 6.90 | 0.049 | 0.651 | 0.39 | XYL | complex4.pdb.gz | 240,241,243 |
| 5 | 0.01 | 2xtaA | 0.383 | 6.94 | 0.052 | 0.666 | 0.19 | ACO | complex5.pdb.gz | 82,88,89 |
| 6 | 0.01 | 2y0pA | 0.380 | 6.94 | 0.052 | 0.660 | 0.15 | ACO | complex6.pdb.gz | 9,12,15 |
| 7 | 0.01 | 2olvA | 0.321 | 6.99 | 0.037 | 0.554 | 0.15 | M0E | complex7.pdb.gz | 9,24,90 |
| 8 | 0.01 | 1lkxA | 0.361 | 6.86 | 0.044 | 0.626 | 0.10 | UUU | complex8.pdb.gz | 10,11,13,38 |
| 9 | 0.01 | 1itkA | 0.368 | 6.60 | 0.056 | 0.623 | 0.12 | HEM | complex9.pdb.gz | 11,13,29,33,79,81 |
| 10 | 0.01 | 1lkxD | 0.375 | 6.59 | 0.028 | 0.631 | 0.12 | UUU | complex10.pdb.gz | 265,317,318 |
| 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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