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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 | 0.89 | 3socA | 0.561 | 1.97 | 0.954 | 0.587 | 1.59 | GVD | complex1.pdb.gz | 198,206,217,219,247,267,268,269,270,271,273,326,327,329,340 |
| 2 | 0.43 | 3cs9B | 0.438 | 2.39 | 0.241 | 0.470 | 0.88 | NIL | complex2.pdb.gz | 217,219,232,235,236,246,247,265,267,269,270,273,320,339,340 |
| 3 | 0.24 | 1m52A | 0.472 | 2.65 | 0.232 | 0.511 | 1.06 | P17 | complex3.pdb.gz | 198,199,206,217,218,219,232,235,265,267,268,270,273,329,339,340,341 |
| 4 | 0.23 | 2g2fA | 0.477 | 2.66 | 0.233 | 0.517 | 0.98 | 112 | complex4.pdb.gz | 199,201,202,203,206,217,219,268,269,270,274,328 |
| 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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