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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 | 2vagA | 0.410 | 5.36 | 0.056 | 0.676 | 0.20 | V25 | complex1.pdb.gz | 51,52,53,54,149,150 |
| 2 | 0.06 | 3efsA | 0.412 | 4.86 | 0.075 | 0.647 | 0.18 | ATP | complex2.pdb.gz | 53,54,142 |
| 3 | 0.06 | 3efsB | 0.415 | 5.00 | 0.082 | 0.652 | 0.19 | ATP | complex3.pdb.gz | 50,53,100,160 |
| 4 | 0.05 | 3efrB | 0.411 | 5.03 | 0.075 | 0.662 | 0.32 | BTN | complex4.pdb.gz | 59,60,61,114,134,135 |
| 5 | 0.05 | 2vx3A | 0.418 | 5.54 | 0.051 | 0.696 | 0.25 | D15 | complex5.pdb.gz | 53,54,55,148,150 |
| 6 | 0.04 | 2wo6A | 0.419 | 5.49 | 0.062 | 0.696 | 0.18 | D15 | complex6.pdb.gz | 42,54,59,60 |
| 7 | 0.01 | 2oidB | 0.424 | 5.18 | 0.029 | 0.701 | 0.18 | ANP | complex7.pdb.gz | 49,54,131,132 |
| 8 | 0.01 | 2nryB | 0.425 | 5.52 | 0.022 | 0.730 | 0.20 | STU | complex8.pdb.gz | 43,44,55,132,134 |
| 9 | 0.01 | 2x3jA | 0.398 | 5.92 | 0.027 | 0.730 | 0.13 | ATP | complex9.pdb.gz | 51,107,148 |
| 10 | 0.01 | 2fonA | 0.417 | 5.87 | 0.045 | 0.755 | 0.29 | FAD | complex10.pdb.gz | 52,55,58 |
| 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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