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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 | 2qpdA | 0.466 | 5.00 | 0.026 | 0.789 | 0.17 | HEM | Download | 2,3,23,27,28,57,141 |
| 2 | 0.01 | 3rkoC | 0.461 | 5.12 | 0.051 | 0.814 | 0.32 | LFA | Download | 19,22,26,31 |
| 3 | 0.01 | 1ocoA | 0.461 | 5.17 | 0.045 | 0.783 | 0.12 | UUU | Download | 22,25,26 |
| 4 | 0.01 | 1ehkA | 0.411 | 4.82 | 0.064 | 0.652 | 0.12 | HEM | Download | 23,24,26,30,54 |
| 5 | 0.01 | 1w1uA | 0.466 | 4.24 | 0.014 | 0.714 | 0.11 | URO | Download | 76,77,111 |
| 6 | 0.01 | 3ag4A | 0.460 | 5.17 | 0.051 | 0.783 | 0.11 | HEA | Download | 9,13,18,19,22,23,26,29 |
| 7 | 0.01 | 1v54A | 0.469 | 5.15 | 0.050 | 0.814 | 0.10 | HEA | Download | 23,24,27,28,107 |
| 8 | 0.01 | 1occA | 0.458 | 5.12 | 0.057 | 0.776 | 0.10 | HEA | Download | 21,122,123 |
| 9 | 0.01 | 1uwkA | 0.464 | 4.08 | 0.035 | 0.708 | 0.27 | URO | Download | 19,21,27,57,68,82 |
| 10 | 0.01 | 2eimN | 0.460 | 4.97 | 0.051 | 0.770 | 0.11 | HEA | Download | 14,17,18,21,22,25,26,28 |
| 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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