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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 | 0.06 | 3rlbA | 0.466 | 3.07 | 0.173 | 0.539 | 0.59 | VIB | Download | 66,67,97,101,105 |
| 2 | 0.01 | 3fahA | 0.448 | 5.31 | 0.070 | 0.662 | 0.95 | GOL | Download | 101,105,109,113 |
| 3 | 0.01 | 1dgjA | 0.437 | 5.51 | 0.066 | 0.669 | 0.90 | FES | Download | 99,101,104,105,106,107,108,109,142,144 |
| 4 | 0.01 | 1dgjA | 0.437 | 5.51 | 0.066 | 0.669 | 0.54 | FES | Download | 99,100,101,105,111,112,113 |
| 5 | 0.01 | 3b9zA | 0.446 | 5.36 | 0.074 | 0.653 | 0.64 | CO2 | Download | 63,66,112,117 |
| 6 | 0.01 | 1sijA | 0.434 | 5.60 | 0.061 | 0.675 | 0.52 | FES | Download | 66,67,69,95,96,99 |
| 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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