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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 | 0.60 | 1p60A | 0.923 | 0.56 | 1.000 | 0.931 | 1.66 | ADP | complex1.pdb.gz | 31,32,33,34,35,36,188,192,242 |
| 2 | 0.49 | 2qrnA | 0.861 | 0.85 | 1.000 | 0.877 | 1.80 | DCM | complex2.pdb.gz | 30,31,34,53,58,82,86,96,97,128,133,137,192,194,197 |
| 3 | 0.48 | 1p5z0 | 0.867 | 0.76 | 1.000 | 0.881 | 1.32 | III | complex3.pdb.gz | 90,91,92,94,95,102,106,148,158,162 |
| 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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