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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 | 1xjfA | 0.476 | 5.07 | 0.043 | 0.758 | 0.42 | DTP | complex1.pdb.gz | 114,123,124,125,146,147 |
| 2 | 0.01 | 6r1rA | 0.468 | 5.32 | 0.043 | 0.773 | 0.63 | III | complex2.pdb.gz | 116,117,118,145,146,147 |
| 3 | 0.01 | 1peoA | 0.476 | 5.47 | 0.043 | 0.783 | 0.48 | DCP | complex3.pdb.gz | 125,131,135,136 |
| 4 | 0.01 | 1xjmB | 0.440 | 5.77 | 0.028 | 0.758 | 0.41 | TTP | complex4.pdb.gz | 114,123,143,144,149 |
| 5 | 0.01 | 1r1rA | 0.468 | 5.04 | 0.039 | 0.737 | 0.57 | III | complex5.pdb.gz | 118,119,121,122,123,141,142 |
| 6 | 0.01 | 2r1rA | 0.470 | 5.08 | 0.039 | 0.742 | 0.43 | III | complex6.pdb.gz | 119,121,122,123,140,141 |
| 7 | 0.01 | 2xawC | 0.469 | 5.22 | 0.043 | 0.768 | 0.43 | III | complex7.pdb.gz | 131,139,142,143 |
| 8 | 0.01 | 3r1rA | 0.466 | 5.33 | 0.048 | 0.778 | 0.56 | III | complex8.pdb.gz | 127,128,129,130,131,132 |
| | 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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