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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 | 0.54 | 2wzbA | 0.887 | 2.43 | 0.435 | 0.973 | 1.46 | UUU | Download | 24,26,39,62,65,122,159,163,214,360,361,383,384 |
| 2 | 0.37 | 13pkD | 0.927 | 1.53 | 0.456 | 0.965 | 1.29 | PO4 | Download | 39,360,361,383 |
| 3 | 0.31 | 2wzcA | 0.883 | 2.48 | 0.433 | 0.973 | 1.22 | UUU | Download | 24,26,39,62,65,122,159,162,163,208,209,210,214,232,233,324,326,328,329,331,360,361,362,363,383,384 |
| 4 | 0.27 | 2x14A | 0.886 | 2.42 | 0.435 | 0.973 | 1.01 | 3PG | Download | 24,26,40,62,122,159,162,163 |
| 5 | 0.07 | 2cunA | 0.883 | 2.10 | 0.364 | 0.946 | 0.98 | MPD | Download | 38,39,361,381 |
| 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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