|
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 | 3qi3A | 0.433 | 4.31 | 0.088 | 0.682 | 0.21 | PDB | complex1.pdb.gz | 50,60,62,104 |
| 2 | 0.01 | 2v7gC | 0.404 | 5.28 | 0.056 | 0.755 | 0.13 | NAD | complex2.pdb.gz | 49,50,56,105,106,107,125,126,127,131,151 |
| 3 | 0.01 | 3tgeA | 0.431 | 4.28 | 0.071 | 0.675 | 0.15 | TGE | complex3.pdb.gz | 91,92,94,112,118 |
| 4 | 0.01 | 3bjcA | 0.419 | 4.73 | 0.052 | 0.702 | 0.21 | WAN | complex4.pdb.gz | 29,110,112 |
| 5 | 0.01 | 1w1uA | 0.406 | 5.32 | 0.043 | 0.768 | 0.15 | URO | complex5.pdb.gz | 31,48,105 |
| 6 | 0.01 | 5ktqA | 0.425 | 4.96 | 0.089 | 0.742 | 0.30 | DCP | complex6.pdb.gz | 52,111,126 |
| 7 | 0.01 | 2d1cA | 0.424 | 5.02 | 0.059 | 0.755 | 0.27 | CIT | complex7.pdb.gz | 107,110,143 |
| 8 | 0.01 | 2c8mA | 0.409 | 5.07 | 0.030 | 0.729 | 0.15 | LPA | complex8.pdb.gz | 55,75,88,144,147,148 |
| 9 | 0.01 | 3dyqA | 0.435 | 4.43 | 0.070 | 0.689 | 0.17 | PCG | complex9.pdb.gz | 55,56,79 |
| 10 | 0.01 | 3lwlA | 0.421 | 4.85 | 0.089 | 0.735 | 0.18 | DDS | complex10.pdb.gz | 55,91,112 |
| | 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. |
|