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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 | 0.340 | 7.11 | 0.044 | 0.592 | 0.13 | ADP | complex1.pdb.gz | 68,111,112 |
| 2 | 0.01 | 3cf4A | 0.396 | 6.63 | 0.040 | 0.647 | 0.26 | SF4 | complex2.pdb.gz | 107,108,110 |
| 3 | 0.01 | 2eauA | 0.334 | 7.15 | 0.058 | 0.598 | 0.29 | PTY | complex3.pdb.gz | 67,91,115 |
| 4 | 0.01 | 2c88A | 0.349 | 7.13 | 0.038 | 0.612 | 0.15 | ACP | complex4.pdb.gz | 115,116,128 |
| 5 | 0.01 | 1b0pA | 0.393 | 7.18 | 0.026 | 0.694 | 0.30 | SF4 | complex5.pdb.gz | 74,77,113,114,116 |
| 6 | 0.01 | 2easA | 0.349 | 7.15 | 0.048 | 0.614 | 0.13 | CZA | complex6.pdb.gz | 50,115,116,117 |
| 7 | 0.01 | 3ar9A | 0.330 | 6.95 | 0.035 | 0.565 | 0.16 | TM1 | complex7.pdb.gz | 50,51,74 |
| 8 | 0.01 | 3cf4A | 0.396 | 6.63 | 0.040 | 0.647 | 0.31 | SF4 | complex8.pdb.gz | 55,57,67,90,91 |
| 9 | 0.01 | 1vfpA | 0.385 | 7.00 | 0.041 | 0.661 | 0.11 | ACP | complex9.pdb.gz | 106,115,116,129 |
| 10 | 0.01 | 3fgoB | 0.323 | 7.05 | 0.038 | 0.559 | 0.17 | CZA | complex10.pdb.gz | 54,55,92 |
| 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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