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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 | 0.09 | 3knjQ | 0.893 | 0.98 | 0.531 | 0.953 | 0.51 | MG | Download | 11,23,56 |
| 2 | 0.03 | 1eygC | 0.649 | 2.76 | 0.136 | 0.941 | 0.64 | QNA | Download | 12,13,14,15,21,22,23,25,28,29,30,40,41,42,43,44,45,46,48,50,56,57,59,65,67,72 |
| 3 | 0.02 | 1eygB | 0.594 | 2.74 | 0.122 | 0.859 | 0.65 | QNA | Download | 12,13,14,15,23,25,27,40,42,44,45,46,50,56,57,65,67,71,72,74 |
| 4 | 0.02 | 1s3o0 | 0.687 | 2.46 | 0.091 | 0.894 | 0.58 | III | Download | 2,3,4,5,6,7,8,9,10,11,26,27,28,43,44,45,58,60,65,74 |
| 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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