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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 | 0.01 | 2o01B | 0.436 | 5.28 | 0.071 | 0.739 | 0.72 | PQN | complex1.pdb.gz | 103,104,107,110,150 |
| 2 | 0.01 | 3irhA | 0.342 | 5.69 | 0.075 | 0.614 | 0.41 | DGT | complex2.pdb.gz | 128,131,137 |
| 3 | 0.01 | 2ebaE | 0.446 | 5.07 | 0.058 | 0.744 | 0.41 | FAD | complex3.pdb.gz | 104,108,111,142,143 |
| 4 | 0.01 | 2r6xA | 0.430 | 4.71 | 0.056 | 0.682 | 0.43 | ATP | complex4.pdb.gz | 111,112,116,117,125,130,136,137 |
| 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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