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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 | 0.01 | 3rkoN | 0.451 | 5.66 | 0.093 | 0.731 | 0.71 | LFA | complex1.pdb.gz | 176,177,180,195,196,199 |
| 2 | 0.01 | 3rkoN | 0.451 | 5.66 | 0.093 | 0.731 | 0.58 | LFA | complex2.pdb.gz | 175,178,179,182 |
| 3 | 0.01 | 3u33B | 0.446 | 5.31 | 0.076 | 0.668 | 0.44 | FAD | complex3.pdb.gz | 179,187,193,195 |
| 4 | 0.01 | 3rkoM | 0.438 | 5.71 | 0.032 | 0.711 | 0.41 | CA7 | complex4.pdb.gz | 187,194,195,198 |
| 5 | 0.01 | 3u33A | 0.404 | 5.49 | 0.052 | 0.629 | 0.49 | FAD | complex5.pdb.gz | 145,147,166,169,198,199,201,202 |
| 6 | 0.01 | 3s8gA | 0.433 | 5.05 | 0.029 | 0.656 | 0.86 | OLC | complex6.pdb.gz | 133,137,180,181,182 |
| 7 | 0.01 | 3rkoC | 0.439 | 5.75 | 0.041 | 0.715 | 0.48 | LFA | complex7.pdb.gz | 186,189,193,198 |
| 8 | 0.01 | 3rkoC | 0.439 | 5.75 | 0.041 | 0.715 | 0.45 | CA7 | complex8.pdb.gz | 133,140,141,171 |
| 9 | 0.01 | 3u33D | 0.446 | 5.21 | 0.066 | 0.660 | 0.45 | FAD | complex9.pdb.gz | 167,169,200 |
| 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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