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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 | 3cmvC | 0.258 | 7.55 | 0.046 | 0.427 | 0.17 | ANP | complex1.pdb.gz | 202,203,228 |
| 2 | 0.01 | 2nm1A | 0.190 | 6.59 | 0.040 | 0.289 | 0.16 | III | complex2.pdb.gz | 204,205,214,215,243 |
| 3 | 0.01 | 1i1eA | 0.303 | 7.86 | 0.033 | 0.524 | 0.18 | DM2 | complex3.pdb.gz | 240,241,242 |
| 4 | 0.01 | 3sucA | 0.304 | 7.34 | 0.046 | 0.496 | 0.29 | ATP | complex4.pdb.gz | 226,227,228 |
| 5 | 0.01 | 2np0A | 0.324 | 7.50 | 0.049 | 0.544 | 0.11 | III | complex5.pdb.gz | 228,238,239,274 |
| 6 | 0.01 | 2iopD | 0.287 | 7.41 | 0.053 | 0.474 | 0.21 | ADP | complex6.pdb.gz | 203,204,205,213 |
| 7 | 0.01 | 1c9iB | 0.178 | 6.80 | 0.033 | 0.271 | 0.29 | III | complex7.pdb.gz | 215,217,239,241 |
| 8 | 0.01 | 3cmvF | 0.270 | 7.54 | 0.034 | 0.447 | 0.12 | ANP | complex8.pdb.gz | 202,203,204 |
| 9 | 0.01 | 3cmvB | 0.204 | 7.44 | 0.040 | 0.334 | 0.17 | ANP | complex9.pdb.gz | 203,204,213,214,236 |
| 10 | 0.01 | 2xzgA | 0.191 | 6.55 | 0.033 | 0.281 | 0.31 | VH1 | complex10.pdb.gz | 203,205,207,230,238 |
| 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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