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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 | 0.14 | 2z82A | 0.756 | 3.80 | 0.154 | 0.939 | 1.18 | UUU | complex1.pdb.gz | 58,77,79,81,102,130 |
| 2 | 0.13 | 3rg1B | 0.784 | 3.04 | 0.148 | 0.935 | 0.98 | UUU | complex2.pdb.gz | 59,81,82,100,102,104,105,125,127,129,150,171 |
| 3 | 0.04 | 2omy0 | 0.790 | 2.67 | 0.195 | 0.889 | 0.67 | III | complex3.pdb.gz | 12,16,33,56,79,82,100,104,105,125,127,148,150,171,172,173,198,199 |
| 4 | 0.03 | 2z66B | 0.793 | 3.27 | 0.135 | 0.935 | 0.53 | UUU | complex4.pdb.gz | 79,100,102 |
| 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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