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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 | 0.03 | 2x7nC | 0.725 | 1.62 | 0.164 | 0.800 | 0.45 | RQA | complex1.pdb.gz | 88,104,128 |
| 2 | 0.01 | 3q60A | 0.436 | 4.33 | 0.058 | 0.690 | 0.43 | ATP | complex2.pdb.gz | 71,84,86,107,108,112 |
| 3 | 0.01 | 3ah1A | 0.432 | 4.50 | 0.026 | 0.690 | 0.43 | SLB | complex3.pdb.gz | 31,69,70,100,104 |
| 4 | 0.01 | 3ah4B | 0.426 | 4.57 | 0.026 | 0.690 | 0.48 | GAL | complex4.pdb.gz | 31,32,67,69,89 |
| 5 | 0.01 | 3aj5B | 0.310 | 4.80 | 0.021 | 0.524 | 0.50 | NGA | complex5.pdb.gz | 86,106,109,113,134 |
| 6 | 0.01 | 3aj5A | 0.430 | 4.47 | 0.027 | 0.683 | 0.48 | NGA | complex6.pdb.gz | 60,62,67,71,73 |
| 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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