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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 | 0.85 | 2q3hA | 0.704 | 1.09 | 0.667 | 0.725 | 1.85 | GDP | complex1.pdb.gz | 41,42,43,44,45,46,144,146,147,187,188,189 |
| 2 | 0.49 | 1e0aA | 0.601 | 3.18 | 0.494 | 0.746 | 1.07 | GNP | complex2.pdb.gz | 45,46,47,49,50,63,109,141,143,185,186,187,188,190,191,194 |
| 3 | 0.45 | 1x86F | 0.717 | 1.50 | 0.416 | 0.754 | 0.83 | PO4 | complex3.pdb.gz | 40,41,43,44,45 |
| 4 | 0.29 | 1ki10 | 0.715 | 1.46 | 0.554 | 0.750 | 1.50 | III | complex4.pdb.gz | 67,68,69,84,87,92,93,94,95,98,99,102 |
| 5 | 0.29 | 2wm92 | 0.709 | 1.75 | 0.547 | 0.746 | 1.57 | III | complex5.pdb.gz | 29,31,45,54,55,67,68,71,72,73,78,82,83,84,85,86,87,92,95,98,101,102,189,190,191,195 |
| 6 | 0.29 | 1nf30 | 0.773 | 1.75 | 0.521 | 0.818 | 1.47 | III | complex6.pdb.gz | 51,52,53,64,65,66,67,68,69,70,71,72,73,74,92,95,98,195,199,202 |
| 7 | 0.28 | 1kzg1 | 0.715 | 1.90 | 0.527 | 0.767 | 1.42 | III | complex7.pdb.gz | 67,69,71,84,92,93,94,95,98,99,101,131,132 |
| 8 | 0.23 | 3kz1F | 0.746 | 0.77 | 0.430 | 0.758 | 1.11 | MG | complex8.pdb.gz | 45,63,85,86 |
| 9 | 0.08 | 1cc00 | 0.742 | 1.59 | 0.422 | 0.784 | 1.32 | III | complex9.pdb.gz | 97,98,131,132 |
| 10 | 0.06 | 1cf4A | 0.561 | 3.60 | 0.419 | 0.712 | 1.02 | GNP | complex10.pdb.gz | 59,60,109,110,111,112,141,142,143,144,145 |
| 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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