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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 | 0.22 | 2zkjA | 0.469 | 4.39 | 0.072 | 0.752 | 0.24 | UUU | Download | 9,19,30 |
| 2 | 0.21 | 2bu8A | 0.476 | 4.30 | 0.080 | 0.752 | 0.31 | ADP | Download | 31,42,82,83,84,112 |
| 3 | 0.01 | 3crlA | 0.470 | 4.33 | 0.071 | 0.752 | 0.16 | ANP | Download | 22,25,26,86,107,108 |
| 4 | 0.01 | 2e0aA | 0.483 | 4.05 | 0.073 | 0.737 | 0.19 | ANP | Download | 23,89,107 |
| 5 | 0.01 | 1hqsB | 0.471 | 4.89 | 0.041 | 0.880 | 0.19 | CIT | Download | 10,17,19,82 |
| 6 | 0.01 | 2bu2A | 0.474 | 4.21 | 0.080 | 0.744 | 0.25 | TF1 | Download | 19,22,23 |
| 7 | 0.01 | 2qfwF | 0.473 | 4.64 | 0.040 | 0.827 | 0.13 | ICT | Download | 4,28,87 |
| 8 | 0.01 | 2q8gA | 0.492 | 4.21 | 0.064 | 0.752 | 0.34 | AZX | Download | 21,22,111 |
| 9 | 0.01 | 2zdyB | 0.468 | 4.31 | 0.061 | 0.752 | 0.26 | ADP | Download | 85,87,112 |
| 10 | 0.01 | 3ty3B | 0.476 | 4.96 | 0.080 | 0.887 | 0.13 | GGG | Download | 86,87,89,107 |
| 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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