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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 | 1shy1 | 0.494 | 3.85 | 0.136 | 0.555 | 0.19 | III | complex1.pdb.gz | 131,133,134,135,146 |
| 2 | 0.01 | 1flg0 | 0.374 | 4.92 | 0.093 | 0.448 | 0.39 | III | complex2.pdb.gz | 44,45,46,48,50,54,56,57,511,512,513,514,543,549 |
| 3 | 0.01 | 1h4j0 | 0.380 | 5.11 | 0.077 | 0.457 | 0.21 | III | complex3.pdb.gz | 45,46,50,489,491,510,511,512,513,514 |
| 4 | 0.01 | 2vdoA | 0.367 | 5.01 | 0.077 | 0.446 | 0.38 | III | complex4.pdb.gz | 72,76,77,94,118 |
| 5 | 0.01 | 1h4iA | 0.379 | 5.08 | 0.077 | 0.456 | 0.18 | PQQ | complex5.pdb.gz | 59,119,121,197,258 |
| 6 | 0.01 | 2eieA | 0.388 | 4.40 | 0.054 | 0.454 | 0.17 | AZI | complex6.pdb.gz | 75,188,189 |
| 7 | 0.01 | 3ijeA | 0.421 | 5.30 | 0.050 | 0.513 | 0.39 | UUU | complex7.pdb.gz | 72,118,120,133 |
| 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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