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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 | 0.69 | 3pyzA | 0.934 | 1.78 | 0.218 | 0.978 | 1.32 | ANP | Download | 43,44,45,46,47,48,69,70,132,225,252,266,267,268,269,272,273,276,356 |
| 2 | 0.39 | 1fgsA | 0.855 | 1.91 | 0.260 | 0.911 | 1.12 | POP | Download | 44,45,46,47,48,250 |
| 3 | 0.06 | 3qczA | 0.933 | 1.72 | 0.218 | 0.976 | 1.26 | GLU | Download | 43,135,136,157,158,159,160,166,171,175 |
| 4 | 0.06 | 1w78A | 0.931 | 1.99 | 0.210 | 0.984 | 1.19 | PD8 | Download | 17,46,69,70,108,110,111,132,134,135,139,140,141,269 |
| 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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