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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 | 0.05 | 2az5B | 0.542 | 1.29 | 0.319 | 0.566 | 1.04 | 307 | complex1.pdb.gz | 136,206,207,208,237 |
| 2 | 0.04 | 1tnr0 | 0.551 | 1.69 | 0.273 | 0.586 | 1.06 | III | complex2.pdb.gz | 96,105,106,107,108,109,111,142,143,144,199,227,230 |
| 3 | 0.04 | 3lkjA | 0.503 | 1.55 | 0.269 | 0.533 | 1.22 | LKJ | complex3.pdb.gz | 132,134,210,212,240,242 |
| 4 | 0.04 | 3lkjC | 0.483 | 1.76 | 0.286 | 0.516 | 1.07 | LKJ | complex4.pdb.gz | 87,89,91,134,136,206,207 |
| 5 | 0.04 | 1xu22 | 0.486 | 1.87 | 0.209 | 0.529 | 1.10 | III | complex5.pdb.gz | 112,114,136,138,140,183,187,200,202,203,204,206,232,234,237,241 |
| 6 | 0.04 | 1xu21 | 0.486 | 1.87 | 0.209 | 0.529 | 1.13 | III | complex6.pdb.gz | 177,178,179,180,181,182,183,184,206,207,208,209,210,211,212,243 |
| 7 | 0.03 | 1oqd3 | 0.505 | 1.95 | 0.165 | 0.545 | 1.28 | III | complex7.pdb.gz | 93,111,112,235 |
| 8 | 0.03 | 3k48D | 0.486 | 1.84 | 0.194 | 0.529 | 0.97 | III | complex8.pdb.gz | 140,141,142,202,228,229,230,232,234 |
| 9 | 0.03 | 1oqd2 | 0.505 | 1.95 | 0.165 | 0.545 | 1.10 | III | complex9.pdb.gz | 167,176,177,178,211,212 |
| 10 | 0.03 | 3k48B | 0.487 | 1.82 | 0.194 | 0.529 | 0.96 | III | complex10.pdb.gz | 158,159,160,161,162,175,177,180,181,182,222,224 |
| 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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