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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 | 0.47 | 1a4y4 | 0.776 | 1.75 | 0.959 | 0.823 | 1.86 | III | complex1.pdb.gz | 29,32,36,48,55,56,61,62,64,65,91,108,109,110,112,113,117,119,130,132,138,141 |
| 2 | 0.35 | 3oqzB | 0.599 | 1.49 | 0.340 | 0.639 | 0.84 | III | complex2.pdb.gz | 67,68,69,70,71,72,74,77,129,135,136,137,139 |
| 3 | 0.19 | 1d5dB | 0.595 | 1.10 | 0.348 | 0.626 | 1.50 | III | complex3.pdb.gz | 49,57,58,59,67,68,69,70,71,72,74,138,139 |
| 4 | 0.18 | 1j81B | 0.595 | 1.09 | 0.348 | 0.626 | 1.33 | III | complex4.pdb.gz | 49,57,58,59,67,68,69,70,71,72,73,74,77,129,135,136,137,138 |
| 5 | 0.10 | 1jn4A | 0.713 | 1.83 | 0.330 | 0.782 | 0.90 | 139 | complex5.pdb.gz | 36,37,66,67,68,92,130,132,137,138,139 |
| 6 | 0.09 | 1ssaA | 0.655 | 1.81 | 0.302 | 0.721 | 1.02 | III | complex6.pdb.gz | 29,30,33,68,78,81,94,125,126,127,128,129,130,131,132 |
| 7 | 0.06 | 9rsa0 | 0.715 | 1.75 | 0.322 | 0.782 | 1.19 | III | complex7.pdb.gz | 65,86,87,88,89,104,106,107,109,119,121,125,128,140,143 |
| 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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