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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 | 3rkoM | 0.432 | 5.25 | 0.102 | 0.630 | 0.56 | CA7 | complex1.pdb.gz | 76,84,85,88,89,90 |
| 2 | 0.01 | 2i37A | 0.395 | 5.79 | 0.051 | 0.656 | 0.89 | UUU | complex2.pdb.gz | 85,89,90,91,92,93 |
| 3 | 0.01 | 2o01A | 0.418 | 5.23 | 0.055 | 0.641 | 0.70 | SF4 | complex3.pdb.gz | 83,84,86,92 |
| 4 | 0.01 | 1jb0B | 0.429 | 4.93 | 0.033 | 0.641 | 0.65 | CL1 | complex4.pdb.gz | 82,83,84,86 |
| 5 | 0.01 | 3bk9D | 0.411 | 5.03 | 0.065 | 0.598 | 0.51 | TRP | complex5.pdb.gz | 42,75,79,83,182 |
| 6 | 0.01 | 3rkoN | 0.435 | 5.32 | 0.082 | 0.663 | 0.53 | LFA | complex6.pdb.gz | 178,181,182,185 |
| 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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