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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 | 0.39 | 3ed4B | 0.724 | 2.62 | 0.276 | 0.777 | 1.34 | NA | complex1.pdb.gz | 53,54,91,145,242,300,301,318 |
| 2 | 0.34 | 1hdhB | 0.732 | 2.68 | 0.299 | 0.784 | 0.57 | SO4 | complex2.pdb.gz | 54,90,91,145,147,242 |
| 3 | 0.31 | 1e2sP | 0.757 | 3.08 | 0.277 | 0.827 | 0.40 | CSN | complex3.pdb.gz | 54,91,242 |
| 4 | 0.12 | 2w5rA | 0.573 | 3.83 | 0.134 | 0.664 | 0.66 | GP9 | complex4.pdb.gz | 53,91,143,242,301 |
| 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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