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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 | 3ar3A | 0.375 | 6.47 | 0.032 | 0.686 | 0.18 | ADP | complex1.pdb.gz | 70,92,93 |
| 2 | 0.01 | 2eatA | 0.394 | 6.53 | 0.059 | 0.731 | 0.24 | CZA | complex2.pdb.gz | 49,50,52,68,104,106 |
| 3 | 0.01 | 2eauA | 0.395 | 6.51 | 0.049 | 0.727 | 0.14 | CZA | complex3.pdb.gz | 71,89,90,93 |
| 4 | 0.01 | 3nanA | 0.374 | 6.39 | 0.041 | 0.678 | 0.18 | PTY | complex4.pdb.gz | 71,90,92 |
| 5 | 0.01 | 3b9rB | 0.403 | 6.30 | 0.042 | 0.731 | 0.15 | ACP | complex5.pdb.gz | 77,98,104 |
| 6 | 0.01 | 1wpgA | 0.380 | 6.36 | 0.038 | 0.698 | 0.20 | MF4 | complex6.pdb.gz | 49,77,96 |
| 7 | 0.01 | 2agvA | 0.376 | 6.46 | 0.032 | 0.682 | 0.13 | BHQ | complex7.pdb.gz | 77,78,82 |
| 8 | 0.01 | 2c88A | 0.385 | 6.78 | 0.049 | 0.748 | 0.23 | ACP | complex8.pdb.gz | 93,94,95 |
| 9 | 0.01 | 2zbeA | 0.373 | 6.66 | 0.049 | 0.715 | 0.18 | BEF | complex9.pdb.gz | 49,50,51 |
| 10 | 0.01 | 3ar7A | 0.392 | 6.62 | 0.053 | 0.740 | 0.12 | 128 | complex10.pdb.gz | 49,93,95 |
| 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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