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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 | 0.91 | 2wotA | 0.599 | 1.56 | 0.825 | 0.615 | 1.82 | ZZG | complex1.pdb.gz | 201,209,220,222,250,268,269,270,271,272,273,274,276,280,328,330,340,341 |
| 2 | 0.69 | 3g2fA | 0.581 | 1.72 | 0.356 | 0.602 | 1.53 | ADP | complex2.pdb.gz | 201,202,203,204,205,206,207,209,220,222,270,271,273,277,327,328,330,341 |
| 3 | 0.51 | 3q4tA | 0.581 | 1.64 | 0.401 | 0.600 | 1.39 | TAK | complex3.pdb.gz | 202,220,222,250,270,271,272,273,274,276,330 |
| 4 | 0.35 | 3tjcA | 0.499 | 2.76 | 0.262 | 0.542 | 1.50 | 0TP | complex4.pdb.gz | 201,202,204,209,271,272,273,274,276,327,328,330,341 |
| 5 | 0.12 | 1b6c1 | 0.622 | 1.97 | 0.819 | 0.649 | 1.04 | III | complex5.pdb.gz | 184,185,186,188,189,190,236,237,240,255,257 |
| 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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