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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 | 2v469 | 0.120 | 3.76 | 0.048 | 0.147 | 0.44 | III | complex1.pdb.gz | 183,194,196,197,198,199 |
| 2 | 0.01 | 2yu93 | 0.124 | 3.76 | 0.038 | 0.156 | 0.44 | III | complex2.pdb.gz | 28,181,182,197,199,200,202,203,204,210 |
| 3 | 0.01 | 1hnz2 | 0.136 | 4.30 | 0.051 | 0.174 | 0.55 | III | complex3.pdb.gz | 156,157,160,181,182,183,184 |
| 4 | 0.01 | 1ibk2 | 0.159 | 4.99 | 0.011 | 0.226 | 0.87 | III | complex4.pdb.gz | 180,181,182,186 |
| 5 | 0.01 | 2yu91 | 0.084 | 3.94 | 0.065 | 0.107 | 0.54 | III | complex5.pdb.gz | 182,191,192,196,197 |
| 6 | 0.01 | 1hnz4 | 0.078 | 3.75 | 0.018 | 0.095 | 0.54 | III | complex6.pdb.gz | 151,153,155,156,188,189,190 |
| 7 | 0.01 | 1wcm7 | 0.129 | 4.04 | 0.036 | 0.165 | 0.49 | III | complex7.pdb.gz | 22,23,25,186,187,189,190,193,194,198,201,204,205,207,209 |
| 8 | 0.01 | 2vjt3 | 0.185 | 4.79 | 0.037 | 0.251 | 0.48 | III | complex8.pdb.gz | 24,145,146,147,149,150,153 |
| 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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