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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 | 0.87 | 1tp3A | 0.717 | 2.42 | 0.864 | 0.823 | 1.85 | III | complex1.pdb.gz | 29,30,31,32,33,34,45,78,85,86 |
| 2 | 0.68 | 3jxtB | 0.702 | 1.82 | 0.789 | 0.766 | 1.41 | III | complex2.pdb.gz | 30,31,32,46 |
| 3 | 0.42 | 2i0iA | 0.636 | 0.70 | 0.877 | 0.653 | 1.97 | III | complex3.pdb.gz | 25,26,50,51,52,55 |
| 4 | 0.41 | 1pdr2 | 0.700 | 1.87 | 0.813 | 0.766 | 1.95 | III | complex4.pdb.gz | 22,23,50,52,55 |
| 5 | 0.40 | 1pdr1 | 0.700 | 1.87 | 0.813 | 0.766 | 1.80 | III | complex5.pdb.gz | 25,26,89,90 |
| 6 | 0.40 | 1pdr0 | 0.700 | 1.87 | 0.813 | 0.766 | 1.74 | III | complex6.pdb.gz | 27,32,33,34,37,45,46,48,49,78,82 |
| 7 | 0.40 | 1ihjB | 0.632 | 1.92 | 0.333 | 0.694 | 1.18 | III | complex7.pdb.gz | 28,29,30,31,32,33,83 |
| 8 | 0.28 | 2g2lB | 0.645 | 1.17 | 0.369 | 0.677 | 0.98 | III | complex8.pdb.gz | 29,30,31,33,86 |
| 9 | 0.16 | 3r0hG | 0.652 | 3.33 | 0.130 | 0.863 | 0.88 | III | complex9.pdb.gz | 29,30,31,32,46,47,48,79,83,86 |
| 10 | 0.07 | 2kplA | 0.630 | 2.33 | 0.202 | 0.766 | 0.94 | III | complex10.pdb.gz | 29,30,31,32,33,34,35,37,40,41,43,45,78,81,82,85,86 |
| 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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