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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 | 0.03 | 3hchA | 0.488 | 3.29 | 0.090 | 0.617 | 0.76 | RSM | complex1.pdb.gz | 42,82,84,86,101,103,104 |
| 2 | 0.02 | 2fu50 | 0.493 | 2.86 | 0.143 | 0.611 | 0.62 | III | complex2.pdb.gz | 50,51,53,55,56,57,59,70,73,75,76,77,78,79,80 |
| 3 | 0.02 | 3eqtA | 0.550 | 3.66 | 0.113 | 0.732 | 0.55 | QNA | complex3.pdb.gz | 63,82,83,103,105,106,127 |
| 4 | 0.01 | 3hciA | 0.489 | 3.36 | 0.088 | 0.624 | 0.46 | RSM | complex4.pdb.gz | 68,83,84,102,103 |
| 5 | 0.01 | 2l1uA | 0.454 | 3.63 | 0.100 | 0.631 | 0.46 | ZN | complex5.pdb.gz | 19,21,74 |
| 6 | 0.01 | 3e0mA | 0.471 | 3.82 | 0.052 | 0.651 | 0.69 | III | complex6.pdb.gz | 42,69,82,83,85,101,103,105 |
| 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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