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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 | 0.73 | 2y94A | 0.926 | 1.78 | 0.337 | 0.985 | 1.45 | STU | complex1.pdb.gz | 16,17,18,37,88,89,90,91,94,95,138,139,141,150,151 |
| 2 | 0.67 | 3mfuA | 0.917 | 1.75 | 0.313 | 0.970 | 1.22 | ANP | complex2.pdb.gz | 16,17,18,24,37,39,89,91,141,151 |
| 3 | 0.60 | 2y7jC | 0.928 | 1.52 | 0.295 | 0.974 | 1.41 | B49 | complex3.pdb.gz | 16,37,71,88,89,91,92,94,98,141 |
| 4 | 0.48 | 2pe0A | 0.884 | 1.76 | 0.278 | 0.940 | 1.16 | 39Z | complex4.pdb.gz | 17,37,89,90,91,94,141,150 |
| 5 | 0.45 | 2owbA | 0.927 | 1.66 | 0.254 | 0.985 | 1.19 | 626 | complex5.pdb.gz | 14,15,16,18,19,22,23,24,37,39,89,91,92,94,141 |
| 6 | 0.43 | 3qcyA | 0.879 | 1.79 | 0.275 | 0.937 | 1.27 | 3Q3 | complex6.pdb.gz | 18,19,20,21,24,37,39,58,88,89,90,141,150,151,153,154 |
| 7 | 0.43 | 3d5xA | 0.897 | 1.72 | 0.261 | 0.959 | 0.83 | KWT | complex7.pdb.gz | 18,19,22,24,37,39,88,89 |
| 8 | 0.38 | 3db6A | 0.912 | 1.85 | 0.250 | 0.985 | 0.88 | FRS | complex8.pdb.gz | 16,17,24,37,39,55,58,59,62,71,73,86,88,89,141,150,151 |
| 9 | 0.37 | 3naxA | 0.852 | 2.32 | 0.267 | 0.948 | 1.08 | MP7 | complex9.pdb.gz | 19,22,37,39,61,70,71,88,89,90,91,125,132,141,149,150,151,153,155 |
| 10 | 0.35 | 2pe2A | 0.883 | 1.78 | 0.278 | 0.940 | 1.26 | 464 | complex10.pdb.gz | 16,24,37,39,88,89,90,91,92,93,94,98,99,102,141,150,151 |
| 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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