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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 | 0.04 | 2jcqA | 0.818 | 2.31 | 0.191 | 0.949 | 0.51 | UUU | complex1.pdb.gz | 48,49,50,60,66 |
| 2 | 0.03 | 1sb21 | 0.676 | 2.62 | 0.143 | 0.857 | 0.64 | III | complex2.pdb.gz | 16,20,29,31,32,33,34,39,53,54,55,76,77,78,79,80 |
| 3 | 0.03 | 1y4jA | 0.746 | 2.30 | 0.132 | 0.929 | 0.41 | CA | complex3.pdb.gz | 56,58,80 |
| 4 | 0.03 | 3p5fC | 0.666 | 2.47 | 0.146 | 0.837 | 0.47 | MAN | complex4.pdb.gz | 37,39,45,51,60,61 |
| 5 | 0.02 | 1qddA | 0.652 | 2.79 | 0.120 | 0.847 | 0.45 | UUU | complex5.pdb.gz | 27,28,30,31 |
| 6 | 0.02 | 1tdq1 | 0.652 | 2.47 | 0.100 | 0.816 | 0.53 | III | complex6.pdb.gz | 6,10,45,46,47,60,61,62,82,87,88,89 |
| 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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