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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 | 0.10 | 2v0uA | 0.470 | 4.39 | 0.095 | 0.783 | 0.31 | FMN | Download | 4,56,57,60,105,107,116,117,118,120 |
| 2 | 0.08 | 3rh8D | 0.470 | 4.59 | 0.078 | 0.791 | 0.28 | FAD | Download | 8,38,39,40,49,50,52,53,56,104,106,118,120,127 |
| 3 | 0.01 | 1z6fA | 0.465 | 3.86 | 0.031 | 0.729 | 0.16 | BO9 | Download | 38,39,40,41,108,123,128,129 |
| 4 | 0.01 | 2pd7B | 0.469 | 4.64 | 0.076 | 0.798 | 0.27 | FAD | Download | 16,39,40,50,53,54,57 |
| 5 | 0.01 | 3sh9A | 0.453 | 3.93 | 0.042 | 0.729 | 0.19 | PCZ | Download | 56,108,109 |
| 6 | 0.01 | 3kiuy | 0.490 | 2.58 | 0.084 | 0.628 | 0.27 | RQA | Download | 13,15,31 |
| 7 | 0.01 | 1i2wA | 0.449 | 3.92 | 0.031 | 0.729 | 0.19 | CFX | Download | 9,38,107,108 |
| 8 | 0.01 | 2pdtB | 0.471 | 4.60 | 0.067 | 0.798 | 0.24 | FAD | Download | 11,49,52,53,56,118 |
| 9 | 0.01 | 3itbD | 0.468 | 3.98 | 0.031 | 0.736 | 0.16 | III | Download | 30,31,57,109 |
| 10 | 0.01 | 3mzdA | 0.466 | 4.08 | 0.031 | 0.744 | 0.15 | CXV | Download | 38,39,40 |
| 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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