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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 | 0.76 | 4ts1B | 0.688 | 1.68 | 0.520 | 0.715 | 1.44 | TYR | Download | 35,37,39,164,168,171,184,190 |
| 2 | 0.72 | 1jiiA | 0.706 | 1.73 | 0.534 | 0.737 | 1.44 | 383 | Download | 35,36,37,38,39,48,49,52,69,118,164,168,171,189,190 |
| 3 | 0.59 | 1vbmA | 0.692 | 1.67 | 0.462 | 0.722 | 1.42 | YSA | Download | 35,37,39,48,49,51,52,74,164,168,171,184,186,187,189,190,217,218,219 |
| 4 | 0.48 | 2akeA | 0.573 | 3.87 | 0.125 | 0.698 | 0.98 | TRP | Download | 35,36,37,38,39,69,71,74,171,184,186,190,194 |
| 5 | 0.28 | 2ts10 | 0.703 | 1.48 | 0.515 | 0.727 | 1.45 | III | Download | 73,76,77,119,122,125,126,127,128,130,131,132,135,136,138,139,140,141,143,144,153,157,158,159,160,162,163 |
| 6 | 0.18 | 2ag6A | 0.549 | 3.81 | 0.146 | 0.664 | 1.06 | 4BF | Download | 37,38,39,69,71,74,164,168,175,176,190 |
| 7 | 0.09 | 1jil0 | 0.716 | 1.70 | 0.528 | 0.746 | 1.45 | III | Download | 16,17,19,20,22,142,145,147,151,155,191,195,199,218,220,221,222,223,224,225,226,257,278,281,282 |
| 8 | 0.08 | 1h3eA | 0.672 | 4.37 | 0.176 | 0.829 | 0.98 | ATP | Download | 37,38,39,46,48,49,51,52,186,187,190,217,218,219 |
| 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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