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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 | 0.10 | 3gndA | 0.408 | 3.81 | 0.088 | 0.739 | 0.19 | 5RP | complex1.pdb.gz | 17,18,46,47,51 |
| 2 | 0.09 | 2qjiA | 0.416 | 4.14 | 0.052 | 0.769 | 0.35 | GOL | complex2.pdb.gz | 16,19,20,46,49,50 |
| 3 | 0.05 | 3jw7A | 0.393 | 4.30 | 0.085 | 0.831 | 0.14 | UUU | complex3.pdb.gz | 16,47,48,49,50 |
| 4 | 0.01 | 2b3jC | 0.404 | 3.62 | 0.077 | 0.754 | 0.15 | RQA | complex4.pdb.gz | 18,19,20,49 |
| 5 | 0.01 | 2qjiB | 0.413 | 4.18 | 0.052 | 0.769 | 0.34 | GOL | complex5.pdb.gz | 16,19,46,50 |
| 6 | 0.01 | 3q4dE | 0.405 | 3.76 | 0.034 | 0.754 | 0.11 | UUU | complex6.pdb.gz | 15,17,47 |
| 7 | 0.01 | 2a8n0 | 0.389 | 4.08 | 0.069 | 0.831 | 0.17 | III | complex7.pdb.gz | 21,23,50 |
| 8 | 0.01 | 2qjgP | 0.413 | 4.12 | 0.052 | 0.769 | 0.13 | F2P | complex8.pdb.gz | 18,20,22,50 |
| 9 | 0.01 | 2qjgD | 0.414 | 4.15 | 0.052 | 0.769 | 0.15 | F2P | complex9.pdb.gz | 13,36,50,51 |
| 10 | 0.01 | 3glcL | 0.417 | 4.16 | 0.069 | 0.785 | 0.15 | R5P | complex10.pdb.gz | 8,23,26,27 |
| 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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