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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 | 0.04 | 2j0xA | 0.664 | 2.25 | 0.075 | 0.913 | 0.40 | LYS | complex1.pdb.gz | 24,26,27,28 |
| 2 | 0.03 | 3c1nA | 0.640 | 2.55 | 0.060 | 0.942 | 0.40 | THR | complex2.pdb.gz | 23,25,26,27 |
| 3 | 0.02 | 1k040 | 0.559 | 1.95 | 0.123 | 0.739 | 0.53 | III | complex3.pdb.gz | 15,18,19,22,25,28,29,32 |
| 4 | 0.02 | 3q7gA | 0.678 | 1.88 | 0.074 | 0.841 | 0.45 | SCR | complex4.pdb.gz | 19,23,26 |
| 5 | 0.02 | 1ow7C | 0.659 | 2.45 | 0.044 | 0.927 | 0.46 | III | complex5.pdb.gz | 21,24,25,29,50,51 |
| 6 | 0.02 | 2j0xA | 0.664 | 2.25 | 0.075 | 0.913 | 0.40 | ASP | complex6.pdb.gz | 26,27,28,29 |
| 7 | 0.01 | 3b71C | 0.546 | 2.80 | 0.087 | 0.884 | 0.50 | III | complex7.pdb.gz | 23,26,29,39,42,46,50 |
| 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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