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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 | 1uu7A | 0.467 | 4.51 | 0.063 | 0.769 | 0.17 | BI2 | complex1.pdb.gz | 17,22,23,24,47 |
| 2 | 0.01 | 2xh5A | 0.459 | 4.70 | 0.098 | 0.800 | 0.10 | X37 | complex2.pdb.gz | 55,58,87 |
| 3 | 0.01 | 3rwpA | 0.457 | 4.66 | 0.079 | 0.777 | 0.23 | ABQ | complex3.pdb.gz | 20,46,47,48,61,84,85 |
| 4 | 0.01 | 3h9oA | 0.459 | 4.65 | 0.080 | 0.785 | 0.21 | 9BD | complex4.pdb.gz | 13,18,19,20,24,48 |
| 5 | 0.01 | 1uu3A | 0.453 | 4.72 | 0.070 | 0.785 | 0.15 | LY4 | complex5.pdb.gz | 17,23,24,29 |
| 6 | 0.01 | 3a8wA | 0.466 | 4.60 | 0.061 | 0.808 | 0.13 | ATP | complex6.pdb.gz | 17,18,104 |
| 7 | 0.01 | 3cqwA | 0.462 | 4.61 | 0.089 | 0.800 | 0.15 | CQW | complex7.pdb.gz | 50,52,59,60 |
| 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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