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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 | 0.08 | 1mv5C | 0.365 | 2.40 | 0.367 | 0.387 | 0.41 | ATP | Download | 130,149,150,151,154,155,156,157 |
| 2 | 0.04 | 3g60A | 0.800 | 3.96 | 0.233 | 0.925 | 0.50 | 0JZ | Download | 60,63,64,67,290,320,323,326 |
| 3 | 0.04 | 3nhbA | 0.414 | 2.72 | 0.342 | 0.443 | 0.45 | ADP | Download | 152,153,154,155,156,157,158 |
| 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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