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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 | 3i8eA | 0.327 | 6.46 | 0.042 | 0.432 | 0.18 | III | complex1.pdb.gz | 61,111,166,194,557 |
| 2 | 0.01 | 3i7nA | 0.328 | 6.59 | 0.046 | 0.436 | 0.17 | III | complex2.pdb.gz | 110,112,154 |
| 3 | 0.01 | 1e2rB | 0.295 | 7.15 | 0.054 | 0.425 | 0.27 | UUU | complex3.pdb.gz | 110,126,151,152,153,167,194 |
| 4 | 0.01 | 1aomB | 0.340 | 5.89 | 0.067 | 0.427 | 0.20 | DHE | complex4.pdb.gz | 125,152,153,192,207 |
| 5 | 0.01 | 2hye0 | 0.341 | 7.33 | 0.039 | 0.481 | 0.17 | III | complex5.pdb.gz | 186,225,226 |
| 6 | 0.01 | 1aofB | 0.328 | 5.77 | 0.059 | 0.414 | 0.20 | UUU | complex6.pdb.gz | 154,195,244 |
| 7 | 0.01 | 3ottB | 0.349 | 6.75 | 0.050 | 0.477 | 0.19 | TBR | complex7.pdb.gz | 26,27,281,282,286 |
| 8 | 0.01 | 3i8eB | 0.309 | 8.05 | 0.053 | 0.479 | 0.29 | III | complex8.pdb.gz | 59,61,85,111,128,153 |
| 9 | 0.01 | 3i7kA | 0.330 | 6.57 | 0.046 | 0.439 | 0.20 | III | complex9.pdb.gz | 61,84,112 |
| 10 | 0.01 | 1aomB | 0.340 | 5.89 | 0.067 | 0.427 | 0.12 | HEM | complex10.pdb.gz | 118,119,137,139,141 |
| 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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