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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 | 0.02 | 2w22A | 0.456 | 4.29 | 0.125 | 0.554 | 0.54 | EGC | complex1.pdb.gz | 55,170,205,206,239,241,267,371,401 |
| 2 | 0.01 | 1mx5B | 0.473 | 5.36 | 0.080 | 0.629 | 0.45 | SIA | complex2.pdb.gz | 202,203,204,205,206,236,237 |
| 3 | 0.01 | 1gpkA | 0.452 | 6.08 | 0.057 | 0.636 | 0.61 | HUP | complex3.pdb.gz | 26,53,54,55,56,57,146,204,401 |
| 4 | 0.01 | 1ax9A | 0.469 | 5.56 | 0.066 | 0.632 | 0.46 | EDR | complex4.pdb.gz | 54,55,57,204,205,404 |
| 5 | 0.01 | 1mx1C | 0.474 | 5.51 | 0.084 | 0.636 | 0.46 | THA | complex5.pdb.gz | 54,56,57,206,207 |
| 6 | 0.01 | 1mx5A | 0.473 | 5.38 | 0.084 | 0.629 | 0.43 | HTQ | complex6.pdb.gz | 27,54,55,205,401 |
| 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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