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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 | 0.08 | 1jrrA | 0.648 | 4.38 | 0.251 | 0.806 | 0.48 | III | complex1.pdb.gz | 70,73,74,77,332,335,337,340,344,345,346,347,348,349,350,351,352,353,354,355,356,357 |
| 2 | 0.08 | 3dy0A | 0.607 | 3.91 | 0.252 | 0.732 | 0.56 | III | complex2.pdb.gz | 54,223,224,225,226,234,236,240,245,254,256,260,265,266,267,268,269,270,271,272,274,278,282,285,300,301,302,303,304,305,307,309,359 |
| 3 | 0.06 | 1br8I | 0.671 | 4.15 | 0.176 | 0.828 | 0.41 | III | complex3.pdb.gz | 70,73,77,81,195,196,197,198,199,200,201,321,340,345,346,347,348 |
| 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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