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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 | 0.24 | 1bi81 | 0.887 | 0.95 | 1.000 | 0.941 | 0.98 | III | complex1.pdb.gz | 15,19,21,23,39,43,48,49,52,53,71,72,80,83,84,86,88 |
| 2 | 0.21 | 1blx1 | 0.922 | 1.18 | 0.820 | 0.980 | 1.01 | III | complex2.pdb.gz | 6,10,15,18,19,20,21,23,54 |
| 3 | 0.20 | 3twtB | 0.941 | 1.02 | 0.307 | 1.000 | 1.08 | III | complex3.pdb.gz | 10,15,18,19,20,43,48,51,52,54,71,73,75,80,86 |
| 4 | 0.18 | 2rfmB | 0.906 | 1.38 | 0.218 | 1.000 | 1.45 | BU2 | complex4.pdb.gz | 53,85,86,87,88,89 |
| 5 | 0.12 | 2nyjA | 0.848 | 1.98 | 0.208 | 1.000 | 0.89 | ATP | complex5.pdb.gz | 10,15,18,43 |
| 6 | 0.08 | 1svx0 | 0.957 | 0.91 | 0.386 | 1.000 | 1.20 | III | complex6.pdb.gz | 18,40,41,43,48,51,52,71,84,86 |
| 7 | 0.07 | 2bkk1 | 0.956 | 0.89 | 0.337 | 1.000 | 1.11 | III | complex7.pdb.gz | 7,8,10,14,18,19,39,40,41,43,48,51,52,80 |
| 8 | 0.07 | 3twvB | 0.922 | 1.18 | 0.307 | 1.000 | 1.35 | III | complex8.pdb.gz | 8,40,41,42,70,72,73,74 |
| 9 | 0.07 | 3twwA | 0.943 | 1.04 | 0.307 | 1.000 | 1.08 | III | complex9.pdb.gz | 20,22,56,61 |
| 10 | 0.07 | 3twtC | 0.935 | 1.11 | 0.307 | 1.000 | 1.02 | PE8 | complex10.pdb.gz | 19,20,52,53,54 |
| 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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