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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 | 0.01 | 2qjkJ | 0.367 | 6.67 | 0.082 | 0.567 | 0.71 | HEM | complex1.pdb.gz | 30,31,34,35,41,93,94,97,98,100,101,124,125,128,131 |
| 2 | 0.01 | 2yiuD | 0.366 | 6.66 | 0.079 | 0.561 | 0.73 | HEM | complex2.pdb.gz | 26,27,30,31,34,90,94,95,97,98,128,129,132 |
| 3 | 0.01 | 1zrtC | 0.361 | 6.51 | 0.084 | 0.552 | 0.50 | HEM | complex3.pdb.gz | 32,33,34,35,37,38,97,98,100,104,121,124,127,132 |
| 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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