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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 | 0.14 | 3twrA | 0.393 | 1.28 | 0.305 | 0.405 | 1.08 | III | complex1.pdb.gz | 18,21,22,24,48,53,57,81,83,85,90 |
| 2 | 0.09 | 2pnnA | 0.431 | 3.18 | 0.208 | 0.500 | 0.83 | ATP | complex2.pdb.gz | 14,48,53,56,57,85,93,94 |
| 3 | 0.08 | 1wdyA | 0.440 | 2.46 | 0.188 | 0.484 | 0.86 | 25A | complex3.pdb.gz | 18,21,44,46,81,83,85,90,93,94 |
| 4 | 0.04 | 1g3n3 | 0.392 | 1.50 | 0.290 | 0.408 | 1.28 | III | complex4.pdb.gz | 18,21,22,44,53,54,57,81,83,85,90,93,94,95,96,98 |
| 5 | 0.04 | 3twvB | 0.393 | 1.59 | 0.303 | 0.408 | 0.93 | III | complex5.pdb.gz | 45,46,47,80,82,83,84 |
| 6 | 0.03 | 2dvw0 | 0.465 | 2.42 | 0.192 | 0.503 | 0.91 | III | complex6.pdb.gz | 21,45,48,56,82,83,85,90,93,94,116,123,126,127,153,160,164,166 |
| 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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