|
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 | 3cmvA | 0.248 | 6.31 | 0.049 | 0.427 | 0.15 | ANP | complex1.pdb.gz | 199,200,201,202,203,205 |
| 2 | 0.01 | 1mwhA | 0.321 | 6.07 | 0.049 | 0.520 | 0.15 | GTG | complex2.pdb.gz | 187,199,200,201,202,203 |
| 3 | 0.01 | 3cmvE | 0.289 | 6.16 | 0.013 | 0.495 | 0.19 | ANP | complex3.pdb.gz | 223,225,226,227,228 |
| 4 | 0.01 | 1w9c0 | 0.228 | 6.41 | 0.016 | 0.399 | 0.19 | III | complex4.pdb.gz | 175,178,179,181,182,185,197 |
| 5 | 0.01 | 3cmvE | 0.289 | 6.16 | 0.013 | 0.495 | 0.13 | ANP | complex5.pdb.gz | 199,202,203,204 |
| 6 | 0.01 | 2c3oB | 0.381 | 6.12 | 0.039 | 0.641 | 0.23 | SF4 | complex6.pdb.gz | 144,145,172,173,174,175,176 |
| 7 | 0.01 | 3cmvB | 0.241 | 6.49 | 0.021 | 0.427 | 0.23 | ANP | complex7.pdb.gz | 200,201,203,204,206 |
| 8 | 0.01 | 3cmvD | 0.280 | 6.22 | 0.020 | 0.480 | 0.12 | ANP | complex8.pdb.gz | 196,197,198,199,200 |
| 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. |
|