|
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 | 0.66 | 3fv8A | 0.576 | 2.19 | 0.368 | 0.613 | 1.44 | JK3 | complex1.pdb.gz | 144,145,152,165,167,219,221,222,223,224,225,228,268,269,271,281 |
| 2 | 0.63 | 1pmuA | 0.582 | 2.55 | 0.366 | 0.628 | 1.28 | 9HP | complex2.pdb.gz | 144,152,165,219,220,221,222,228,271,281 |
| 3 | 0.45 | 2r9sA | 0.563 | 2.24 | 0.366 | 0.602 | 1.35 | TFA | complex3.pdb.gz | 144,145,225,268,281 |
| 4 | 0.43 | 2o2uA | 0.551 | 2.13 | 0.380 | 0.584 | 0.97 | 738 | complex4.pdb.gz | 144,152,167,217,219,222,225,271 |
| 5 | 0.41 | 2excX | 0.573 | 2.34 | 0.364 | 0.615 | 0.94 | JNK | complex5.pdb.gz | 144,165,167,198,200,217,218,219,222,223,271,281 |
| 6 | 0.36 | 3npcA | 0.589 | 2.33 | 0.351 | 0.628 | 0.96 | B96 | complex6.pdb.gz | 152,165,167,181,185,188,189,198,217,219,221,222,255,281,282 |
| 7 | 0.06 | 1pmqA | 0.588 | 2.45 | 0.360 | 0.632 | 1.15 | ANP | complex7.pdb.gz | 147,148,149,181,266,268,306,333,339 |
| 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. |
|