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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 | 0.17 | 1e4xL | 0.682 | 1.89 | 0.379 | 0.772 | 0.63 | III | complex1.pdb.gz | 55,116,118,119 |
| 2 | 0.16 | 1f3dJ | 0.696 | 1.84 | 0.333 | 0.780 | 0.67 | TPM | complex2.pdb.gz | 87,89,101,103 |
| 3 | 0.15 | 2w65D | 0.695 | 1.82 | 0.323 | 0.780 | 0.64 | III | complex3.pdb.gz | 89,98,100 |
| 4 | 0.15 | 3sgeI | 0.697 | 1.80 | 0.313 | 0.780 | 0.62 | III | complex4.pdb.gz | 53,55,67,70,71,116 |
| 5 | 0.15 | 2h1pH | 0.768 | 1.49 | 0.282 | 0.837 | 0.62 | III | complex5.pdb.gz | 53,77,78,79 |
| 6 | 0.14 | 1kn4L | 0.699 | 1.79 | 0.292 | 0.780 | 0.62 | PDE | complex6.pdb.gz | 87,89,100,102 |
| 7 | 0.10 | 1indH | 0.742 | 1.88 | 0.245 | 0.821 | 0.77 | EOT | complex7.pdb.gz | 89,98,100 |
| 8 | 0.10 | 1q72H | 0.776 | 1.30 | 0.233 | 0.837 | 0.66 | COC | complex8.pdb.gz | 35,104,105,106,108 |
| 9 | 0.07 | 1mf21 | 0.694 | 1.89 | 0.396 | 0.780 | 0.86 | III | complex9.pdb.gz | 86,106,108 |
| 10 | 0.06 | 1e6o1 | 0.668 | 1.80 | 0.409 | 0.756 | 0.60 | III | complex10.pdb.gz | 53,55,57,59,64,65,67,70,71,78,114,118 |
| 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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