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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 | 0.06 | 3f1fF | 0.591 | 2.14 | 0.310 | 0.643 | 1.42 | MG | complex1.pdb.gz | 138,139,140,143,146 |
| 2 | 0.01 | 6r1rA | 0.384 | 6.94 | 0.055 | 0.701 | 0.52 | III | complex2.pdb.gz | 120,121,146,149,150 |
| 3 | 0.01 | 2hgj2 | 0.134 | 4.65 | 0.022 | 0.183 | 0.69 | III | complex3.pdb.gz | 124,142,143,150,152,153,154,155,156,157 |
| 4 | 0.01 | 1qvo5 | 0.195 | 5.91 | 0.029 | 0.305 | 0.61 | III | complex4.pdb.gz | 117,118,124,125,140,143,150 |
| 5 | 0.01 | 1r1rA | 0.382 | 6.52 | 0.047 | 0.640 | 0.53 | III | complex5.pdb.gz | 118,119,148,149,150 |
| 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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