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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 | 3m1vB | 0.548 | 3.31 | 0.090 | 0.734 | 0.35 | TP7 | complex1.pdb.gz | 51,52,59,60,61 |
| 2 | 0.02 | 1hbuB | 0.546 | 3.32 | 0.090 | 0.734 | 0.34 | TP7 | complex2.pdb.gz | 50,55,56,74,76 |
| 3 | 0.02 | 1hbmB | 0.547 | 3.34 | 0.098 | 0.734 | 0.31 | UUU | complex3.pdb.gz | 51,52,53,54,62 |
| 4 | 0.01 | 1hbmE | 0.545 | 3.33 | 0.082 | 0.734 | 0.33 | UUU | complex4.pdb.gz | 47,52,62 |
| 5 | 0.01 | 3sqgA | 0.362 | 5.05 | 0.018 | 0.672 | 0.13 | M43 | complex5.pdb.gz | 44,52,55 |
| 6 | 0.01 | 3m2rD | 0.363 | 5.29 | 0.073 | 0.703 | 0.29 | F43 | complex6.pdb.gz | 47,48,50,53 |
| 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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