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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 | 2wnuF | 0.500 | 1.56 | 0.383 | 0.525 | 0.72 | UUU | complex1.pdb.gz | 149,212,214 |
| 2 | 0.04 | 3lkjC | 0.436 | 2.50 | 0.175 | 0.492 | 0.86 | LKJ | complex2.pdb.gz | 112,114,116,159,161,198,199 |
| 3 | 0.03 | 3lkjA | 0.441 | 2.43 | 0.157 | 0.496 | 1.28 | LKJ | complex3.pdb.gz | 157,159,202,204,237,239 |
| 4 | 0.02 | 2az5B | 0.439 | 2.26 | 0.108 | 0.492 | 0.72 | 307 | complex4.pdb.gz | 157,159,200,201,202,235 |
| 5 | 0.02 | 1oqd0 | 0.459 | 2.31 | 0.103 | 0.516 | 0.86 | III | complex5.pdb.gz | 157,181,182,183,184,185,186,187,188,198,199,200,202,239,240 |
| 6 | 0.02 | 1oqe3 | 0.459 | 2.32 | 0.103 | 0.516 | 0.84 | III | complex6.pdb.gz | 118,134,135,136 |
| 7 | 0.01 | 1xu20 | 0.444 | 2.38 | 0.081 | 0.504 | 0.77 | III | complex7.pdb.gz | 157,181,182,183,184,185,186,187,199,200,201,202,203,240 |
| 8 | 0.01 | 1kxrA | 0.326 | 5.88 | 0.061 | 0.541 | 0.73 | CA | complex8.pdb.gz | 52,57,79 |
| 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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