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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 | 0.29 | 1tauA | 0.738 | 3.00 | 0.254 | 0.871 | 1.58 | ZN | Download | 13,16,119,142 |
| 2 | 0.12 | 3qebZ | 0.624 | 3.84 | 0.120 | 0.776 | 1.03 | MN | Download | 119,142,144 |
| 3 | 0.12 | 1ul1X | 0.682 | 3.88 | 0.114 | 0.855 | 0.84 | MG | Download | 13,67,117,119 |
| 4 | 0.03 | 2ihnA | 0.723 | 3.23 | 0.144 | 0.855 | 0.81 | QNA | Download | 16,19,20,23,69,90,93,97,141,143,161,195 |
| 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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