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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 | 0.85 | 2ae7A | 0.672 | 0.94 | 0.989 | 0.683 | 1.80 | UDH | complex1.pdb.gz | 183,184,185,187,222,248,249,250,275,310,340,343,345,346 |
| 2 | 0.76 | 2fydD | 0.671 | 0.98 | 0.893 | 0.683 | 1.68 | NGA | complex2.pdb.gz | 224,248,251,273,285,287,288,310,311,313,314,340 |
| 3 | 0.72 | 2fydB | 0.671 | 0.98 | 0.893 | 0.683 | 1.64 | NGA | complex3.pdb.gz | 224,248,273,275,285,288,310,311,313,314 |
| 4 | 0.46 | 2ah9C | 0.672 | 0.97 | 0.989 | 0.683 | 1.64 | CTO | complex4.pdb.gz | 276,282,285,310,311,312,314,315,355 |
| 5 | 0.40 | 1fr80 | 0.635 | 1.62 | 0.867 | 0.656 | 1.45 | III | complex5.pdb.gz | 264,265,284,318,322,326,327 |
| 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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