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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 | 2p9i5 | 0.136 | 5.76 | 0.013 | 0.202 | 0.12 | III | complex1.pdb.gz | 75,149,150,159 |
| 2 | 0.01 | 1mhy5 | 0.161 | 5.21 | 0.059 | 0.226 | 0.15 | III | complex2.pdb.gz | 28,95,111,115,139,149 |
| 3 | 0.01 | 1ofdA | 0.405 | 7.29 | 0.040 | 0.700 | 0.14 | FMN | complex3.pdb.gz | 97,115,319,320 |
| 4 | 0.01 | 3q43A | 0.358 | 6.78 | 0.035 | 0.580 | 0.21 | D66 | complex4.pdb.gz | 102,105,106,109,110,113,312 |
| 5 | 0.01 | 3ebiA | 0.351 | 6.98 | 0.036 | 0.585 | 0.10 | BEY | complex5.pdb.gz | 92,94,109,110 |
| 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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