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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 | 0.07 | 1a9nD | 0.461 | 1.67 | 0.195 | 0.500 | 1.16 | RQA | complex1.pdb.gz | 13,15,16,19,20,23,40,41,42,43,45,46,47,48,50,74,77,79,80,81,82,83,84,85,86 |
| 2 | 0.04 | 2x1aA | 0.441 | 1.92 | 0.232 | 0.482 | 1.24 | QNA | complex2.pdb.gz | 16,17,18,19,47,74 |
| 3 | 0.04 | 2x1fA | 0.489 | 1.91 | 0.225 | 0.543 | 0.95 | RQA | complex3.pdb.gz | 13,50,77,79,80,98 |
| 4 | 0.03 | 2pehA | 0.478 | 2.37 | 0.217 | 0.555 | 1.05 | III | complex4.pdb.gz | 17,25,29,66,69,70,71,72,73 |
| 5 | 0.03 | 1a9n1 | 0.461 | 1.66 | 0.193 | 0.500 | 1.26 | III | complex5.pdb.gz | 24,25,27,28,29,31,32,34,35,38,69,70,71,72,73 |
| 6 | 0.03 | 1cvjF | 0.487 | 2.85 | 0.227 | 0.567 | 0.80 | QNA | complex6.pdb.gz | 13,40,41,43,44,48,50,52,77,79,80,81 |
| 7 | 0.03 | 2km8B | 0.397 | 2.47 | 0.256 | 0.476 | 0.84 | QNA | complex7.pdb.gz | 13,43,44,45,48,50,79,80,82,83 |
| 8 | 0.03 | 1dz5A | 0.441 | 2.38 | 0.202 | 0.506 | 1.06 | RQA | complex8.pdb.gz | 13,15,16,19,40,47,48,50,52,80,81,82,83,86 |
| 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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