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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 | 1yq2A | 0.410 | 6.84 | 0.069 | 0.735 | 0.50 | MG | complex1.pdb.gz | 21,23,34 |
| 2 | 0.01 | 1ofdB | 0.354 | 7.12 | 0.059 | 0.660 | 0.44 | F3S | complex2.pdb.gz | 135,136,138,139,151 |
| 3 | 0.01 | 1ofeA | 0.312 | 6.75 | 0.068 | 0.557 | 0.48 | ONL | complex3.pdb.gz | 137,138,159,160,161,162,168 |
| 4 | 0.01 | 1ofdA | 0.354 | 7.04 | 0.058 | 0.654 | 0.44 | F3S | complex4.pdb.gz | 149,150,151,152,169,171,172 |
| 5 | 0.01 | 1lm1A | 0.392 | 6.88 | 0.061 | 0.696 | 0.76 | F3S | complex5.pdb.gz | 148,149,150,151,152,171,172 |
| 6 | 0.01 | 1llwA | 0.426 | 6.95 | 0.036 | 0.777 | 0.50 | F3S | complex6.pdb.gz | 101,103,104,126 |
| 7 | 0.01 | 1llzA | 0.435 | 6.56 | 0.029 | 0.757 | 0.44 | F3S | complex7.pdb.gz | 123,137,138,139,140,141,142 |
| 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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