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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 | 2ouaB | 0.410 | 3.80 | 0.135 | 0.839 | 0.64 | 2AB | complex1.pdb.gz | 43,44,46,54,55,56,57 |
| 2 | 0.01 | 3gdvA | 0.345 | 4.43 | 0.063 | 0.774 | 0.48 | III | complex2.pdb.gz | 14,15,17,18,19,48,49 |
| 3 | 0.01 | 1hwiD | 0.307 | 5.02 | 0.017 | 0.742 | 0.44 | ADP | complex3.pdb.gz | 22,29,30,31,32,34,36,37 |
| 4 | 0.01 | 3t7bA | 0.410 | 3.68 | 0.000 | 0.774 | 0.61 | GLU | complex4.pdb.gz | 22,25,55,56 |
| 5 | 0.01 | 3gdvB | 0.352 | 4.15 | 0.082 | 0.774 | 0.41 | III | complex5.pdb.gz | 20,23,27,48 |
| 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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