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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 | 1xnq1 | 0.218 | 5.38 | 0.065 | 0.361 | 0.15 | III | complex1.pdb.gz | 144,145,151 |
| 2 | 0.01 | 2qkiD | 0.300 | 5.34 | 0.025 | 0.507 | 0.14 | III | complex2.pdb.gz | 143,144,146,149,155 |
| 3 | 0.01 | 3cmvE | 0.290 | 5.92 | 0.065 | 0.517 | 0.24 | ANP | complex3.pdb.gz | 97,99,112 |
| 4 | 0.01 | 2qkiA | 0.251 | 5.67 | 0.049 | 0.449 | 0.13 | III | complex4.pdb.gz | 143,145,156 |
| 5 | 0.01 | 3cmvB | 0.355 | 5.77 | 0.063 | 0.615 | 0.29 | ANP | complex5.pdb.gz | 142,143,145,156 |
| 6 | 0.01 | 1xmsA | 0.244 | 6.17 | 0.039 | 0.454 | 0.10 | ANP | complex6.pdb.gz | 97,98,99,100,115 |
| 7 | 0.01 | 1bgy5 | 0.086 | 2.56 | 0.111 | 0.102 | 0.27 | III | complex7.pdb.gz | 95,96,97,99,100,101 |
| 8 | 0.01 | 2qgf8 | 0.205 | 5.59 | 0.024 | 0.351 | 0.15 | III | complex8.pdb.gz | 136,137,197 |
| 9 | 0.01 | 3cmvG | 0.355 | 5.76 | 0.059 | 0.615 | 0.27 | ANP | complex9.pdb.gz | 97,98,99,100 |
| | 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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