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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 | 0.85 | 1qpjA | 0.505 | 1.67 | 0.713 | 0.525 | 1.80 | STU | complex1.pdb.gz | 247,248,255,267,269,312,313,314,315,318,319,364,367,378 |
| 2 | 0.81 | 3b2wA | 0.483 | 2.10 | 0.694 | 0.509 | 1.62 | 9NH | complex2.pdb.gz | 255,267,269,284,288,296,297,310,312,313,314,315,318,367,376,377,378,379 |
| 3 | 0.81 | 2zv8A | 0.484 | 1.96 | 0.707 | 0.507 | 1.59 | ANP | complex3.pdb.gz | 247,255,267,313,315,367,378 |
| 4 | 0.80 | 2zm4A | 0.502 | 2.17 | 0.707 | 0.531 | 1.30 | KSM | complex4.pdb.gz | 267,269,284,297,312,313,315,367,377,378 |
| 5 | 0.79 | 3lokA | 0.466 | 1.91 | 0.659 | 0.487 | 1.61 | DJK | complex5.pdb.gz | 255,267,268,312,318,319,364,367,378 |
| 6 | 0.70 | 3ac4A | 0.502 | 2.18 | 0.704 | 0.531 | 1.71 | KZL | complex6.pdb.gz | 247,267,314,315,316,318,367 |
| 7 | 0.69 | 3f3uA | 0.481 | 2.25 | 0.676 | 0.513 | 1.71 | 1AW | complex7.pdb.gz | 247,248,249,250,253,254,255,267,314,315,318,319,322 |
| 8 | 0.66 | 3f3wA | 0.479 | 2.34 | 0.672 | 0.513 | 1.14 | 1BU | complex8.pdb.gz | 267,288,296,312,313,315,356,358,367,376,377,378 |
| 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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