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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 | 0.19 | 1wsfD | 0.590 | 2.56 | 0.197 | 0.668 | 1.61 | MN | Download | 70,71,113,137 |
| 2 | 0.11 | 3lp1A | 0.535 | 2.82 | 0.137 | 0.629 | 1.25 | LP8 | Download | 70,113,137,179,180,190 |
| 3 | 0.07 | 2qkkI | 0.586 | 2.04 | 0.158 | 0.649 | 0.99 | RQA | Download | 70,71,72,73,74,75,76,109,113,137,138,139,175,178,179,194 |
| 4 | 0.03 | 2qkbB | 0.587 | 2.18 | 0.148 | 0.658 | 0.84 | RQA | Download | 70,71,72,73,74,76,113,138,140,176 |
| 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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