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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 | 0.04 | 2xtvA | 0.611 | 2.54 | 0.163 | 0.695 | 1.15 | MC3 | complex1.pdb.gz | 107,111,174,178,180 |
| 2 | 0.03 | 2xowA | 0.621 | 2.19 | 0.183 | 0.686 | 0.72 | ISM | complex2.pdb.gz | 73,119,120,121,122,123,167,168,171,172 |
| 3 | 0.03 | 2nr9A | 0.653 | 2.53 | 0.169 | 0.741 | 0.64 | PQE | complex3.pdb.gz | 67,68,71,72,80 |
| 4 | 0.03 | 2nrf0 | 0.611 | 2.71 | 0.161 | 0.703 | 0.78 | III | complex4.pdb.gz | 43,57,58,96,98,102,103,106,107,110,114,115,182 |
| 5 | 0.03 | 2xtvA | 0.611 | 2.54 | 0.163 | 0.695 | 0.64 | MC3 | complex5.pdb.gz | 97,100,176,177,179,180 |
| 6 | 0.01 | 2voyK | 0.116 | 2.01 | 0.129 | 0.126 | 1.17 | III | complex6.pdb.gz | 175,179,182,183,190 |
| 7 | 0.01 | 3fgoB | 0.450 | 5.27 | 0.070 | 0.690 | 0.60 | CZA | complex7.pdb.gz | 154,155,158,176,179,180 |
| 8 | 0.01 | 3ar7A | 0.440 | 5.15 | 0.059 | 0.674 | 0.61 | PTY | complex8.pdb.gz | 124,172,176,179 |
| 9 | 0.01 | 3ar3A | 0.442 | 5.31 | 0.049 | 0.682 | 0.60 | PTY | complex9.pdb.gz | 172,176,179,180 |
| 10 | 0.01 | 3ar3A | 0.442 | 5.31 | 0.049 | 0.682 | 0.63 | PTY | complex10.pdb.gz | 176,179,183,187 |
| 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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