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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 | 3i89A | 0.304 | 7.80 | 0.066 | 0.422 | 0.14 | III | complex1.pdb.gz | 90,104,132 |
| 2 | 0.01 | 3i7hA | 0.301 | 7.72 | 0.067 | 0.417 | 0.13 | III | complex2.pdb.gz | 127,129,175 |
| 3 | 0.01 | 1xmsA | 0.153 | 6.83 | 0.038 | 0.206 | 0.19 | ANP | complex3.pdb.gz | 40,43,103 |
| 4 | 0.01 | 3cmvB | 0.247 | 8.80 | 0.036 | 0.377 | 0.25 | ANP | complex4.pdb.gz | 38,58,63 |
| 5 | 0.01 | 3cmvA | 0.256 | 9.09 | 0.033 | 0.405 | 0.13 | ANP | complex5.pdb.gz | 39,40,85 |
| 6 | 0.01 | 3cmvC | 0.253 | 8.84 | 0.035 | 0.389 | 0.14 | ANP | complex6.pdb.gz | 38,39,81,88 |
| 7 | 0.01 | 1xmvA | 0.148 | 6.76 | 0.039 | 0.197 | 0.20 | ADP | complex7.pdb.gz | 60,61,62,338 |
| 8 | 0.01 | 2cn3A | 0.347 | 7.96 | 0.058 | 0.506 | 0.13 | UUU | complex8.pdb.gz | 36,38,133 |
| 9 | 0.01 | 3cmvF | 0.253 | 9.24 | 0.029 | 0.406 | 0.23 | ANP | complex9.pdb.gz | 62,102,337 |
| 10 | 0.01 | 3i8eB | 0.330 | 8.75 | 0.042 | 0.506 | 0.14 | III | complex10.pdb.gz | 36,102,103,133,179 |
| 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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