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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 | 0.81 | 2rhdA | 0.553 | 1.84 | 0.411 | 0.580 | 1.53 | GDP | complex1.pdb.gz | 24,25,26,27,28,29,39,126,127,129,130,156,157,158 |
| 2 | 0.18 | 1z0k0 | 0.582 | 1.08 | 0.345 | 0.598 | 1.45 | III | complex2.pdb.gz | 11,31,32,35,47,48,49,50,51,52,53,64,66,68,75,76,79,83 |
| 3 | 0.06 | 2bcg1 | 0.589 | 2.01 | 0.362 | 0.623 | 1.13 | III | complex3.pdb.gz | 51,68,69,71,80,81,82,83,85,116,117 |
| 4 | 0.05 | 2heiB | 0.551 | 1.88 | 0.348 | 0.584 | 1.07 | D1D | complex4.pdb.gz | 20,70,77,79,80,83,108,111 |
| 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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