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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 | 0.82 | 3o4rA | 0.855 | 1.63 | 0.874 | 0.896 | 1.24 | NAP | complex1.pdb.gz | 37,39,40,41,42,61,62,63,66,86,87,88,114,116,166,167,210,211,212,214,216,218,219 |
| 2 | 0.22 | 1fmcB | 0.844 | 1.73 | 0.288 | 0.891 | 0.89 | CHO | complex2.pdb.gz | 117,118,167,169,172,177,180,211,218,219 |
| 3 | 0.09 | 3ai3G | 0.834 | 1.79 | 0.312 | 0.891 | 1.13 | SOL | complex3.pdb.gz | 118,167,168,169,176,177,180 |
| 4 | 0.06 | 1ae10 | 0.815 | 1.43 | 0.315 | 0.857 | 0.97 | III | complex4.pdb.gz | 91,124,125,127,129,132,136,140,141,144,148,151,171,173,178,181,182,185,186,189,190,192,193,194,196,197 |
| 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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