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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 | 2qveA | 0.503 | 4.80 | 0.077 | 0.725 | 0.49 | 247 | complex1.pdb.gz | 26,29,56 |
| 2 | 0.01 | 1e3dB | 0.495 | 4.01 | 0.075 | 0.664 | 0.48 | H2S | complex2.pdb.gz | 26,55,56 |
| 3 | 0.01 | 2frvL | 0.492 | 4.52 | 0.062 | 0.686 | 0.41 | FCO | complex3.pdb.gz | 19,126,158,159,160,210 |
| 4 | 0.01 | 1yqwQ | 0.497 | 3.96 | 0.035 | 0.664 | 0.41 | UUU | complex4.pdb.gz | 14,126,154,155,156,211 |
| 5 | 0.01 | 1fupA | 0.491 | 4.42 | 0.036 | 0.690 | 0.46 | PMA | complex5.pdb.gz | 18,22,124 |
| 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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