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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 | 0.02 | 3sqgI | 0.447 | 4.65 | 0.125 | 0.876 | 0.59 | UUU | complex1.pdb.gz | 28,29,30,44,63,84 |
| 2 | 0.01 | 1e6vC | 0.442 | 4.77 | 0.078 | 0.897 | 0.58 | UUU | complex2.pdb.gz | 30,31,42,43,84 |
| 3 | 0.01 | 1ofhC | 0.325 | 4.67 | 0.034 | 0.608 | 0.70 | PO4 | complex3.pdb.gz | 23,27,30 |
| 4 | 0.01 | 1sgf8 | 0.323 | 4.68 | 0.025 | 0.629 | 0.57 | III | complex4.pdb.gz | 2,3,4,6,9,44 |
| 5 | 0.01 | 3a2mA | 0.316 | 5.08 | 0.024 | 0.639 | 0.78 | SUC | complex5.pdb.gz | 21,27,28,29 |
| 6 | 0.01 | 1hbmC | 0.443 | 4.83 | 0.054 | 0.917 | 0.58 | UUU | complex6.pdb.gz | 28,29,68,69 |
| 7 | 0.01 | 1hbnC | 0.449 | 4.66 | 0.067 | 0.887 | 0.55 | UUU | complex7.pdb.gz | 28,46,67,68,69,88 |
| 8 | 0.01 | 3a2mB | 0.316 | 5.21 | 0.024 | 0.660 | 0.64 | SUC | complex8.pdb.gz | 24,25,30 |
| 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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