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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 | 1ya4C | 0.399 | 5.13 | 0.061 | 0.716 | 0.46 | CTX | complex1.pdb.gz | 12,19,20,22 |
| 2 | 0.01 | 1yajB | 0.365 | 5.52 | 0.037 | 0.682 | 0.55 | SIA | complex2.pdb.gz | 55,56,57,59 |
| 3 | 0.01 | 2dr0B | 0.364 | 5.55 | 0.037 | 0.682 | 0.51 | TCH | complex3.pdb.gz | 11,19,20 |
| 4 | 0.01 | 2pywB | 0.404 | 5.31 | 0.044 | 0.750 | 0.43 | EDO | complex4.pdb.gz | 1,6,34,47 |
| 5 | 0.01 | 1yahA | 0.405 | 4.90 | 0.065 | 0.703 | 0.44 | SIA | complex5.pdb.gz | 55,58,59,75 |
| 6 | 0.01 | 1ya8C | 0.363 | 5.48 | 0.044 | 0.676 | 0.51 | SIA | complex6.pdb.gz | 56,59,75 |
| 7 | 0.01 | 2hrqC | 0.354 | 5.38 | 0.046 | 0.655 | 0.43 | SUC | complex7.pdb.gz | 4,11,12,52,54 |
| 8 | 0.01 | 2dqyA | 0.380 | 5.37 | 0.064 | 0.696 | 0.52 | SIA | complex8.pdb.gz | 55,56,59 |
| 9 | 0.01 | 1cb8A | 0.404 | 5.17 | 0.017 | 0.743 | 0.46 | CA | complex9.pdb.gz | 10,13,18,19 |
| 10 | 0.01 | 3kr5I | 0.308 | 5.76 | 0.065 | 0.601 | 0.46 | CO3 | complex10.pdb.gz | 2,3,4,5,34 |
| 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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