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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 | 2gl7A | 0.251 | 7.53 | 0.081 | 0.364 | 0.22 | III | complex1.pdb.gz | 113,115,116,125 |
| 2 | 0.01 | 3cmvA | 0.208 | 8.96 | 0.073 | 0.341 | 0.11 | ANP | complex2.pdb.gz | 121,123,124 |
| 3 | 0.01 | 2uvaG | 0.259 | 9.13 | 0.035 | 0.433 | 0.10 | FMN | complex3.pdb.gz | 120,123,126,127 |
| 4 | 0.01 | 1i7x0 | 0.263 | 7.26 | 0.047 | 0.374 | 0.26 | III | complex4.pdb.gz | 111,136,137,138,168,170 |
| 5 | 0.01 | 2bptA | 0.229 | 7.90 | 0.038 | 0.335 | 0.21 | III | complex5.pdb.gz | 162,163,164 |
| 6 | 0.01 | 3cmvE | 0.179 | 9.34 | 0.051 | 0.309 | 0.18 | ANP | complex6.pdb.gz | 124,126,127,128,129 |
| 7 | 0.01 | 2uvaI | 0.257 | 8.71 | 0.031 | 0.412 | 0.13 | FMN | complex7.pdb.gz | 120,123,127,128 |
| 8 | 0.01 | 3cmvA | 0.208 | 8.96 | 0.073 | 0.341 | 0.14 | ANP | complex8.pdb.gz | 120,121,123,189 |
| 9 | 0.01 | 3cmvE | 0.179 | 9.34 | 0.051 | 0.309 | 0.13 | ANP | complex9.pdb.gz | 120,121,123,125,185 |
| 10 | 0.01 | 3cmvA | 0.208 | 8.96 | 0.073 | 0.341 | 0.17 | ANP | complex10.pdb.gz | 118,119,120,121,122,123,124,129 |
| 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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