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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 | 0.82 | 2ka9A | 0.772 | 1.40 | 0.768 | 0.856 | 1.47 | III | complex1.pdb.gz | 31,32,33,34,35,36,41,53,90,93 |
| 2 | 0.51 | 2awuB | 0.779 | 1.05 | 0.500 | 0.811 | 1.57 | III | complex2.pdb.gz | 29,30,31,32,33,34,56,90 |
| 3 | 0.47 | 1tp5A | 0.719 | 1.96 | 0.371 | 0.802 | 1.36 | III | complex3.pdb.gz | 30,31,32,33,34,35,36,39,53,54,56,86,90,94 |
| 4 | 0.34 | 3jxtA | 0.728 | 1.74 | 0.363 | 0.793 | 1.12 | III | complex4.pdb.gz | 32,33,34,55 |
| 5 | 0.28 | 2g2lB | 0.789 | 0.66 | 0.511 | 0.811 | 1.38 | III | complex5.pdb.gz | 31,32,33,35,94 |
| 6 | 0.25 | 2i0iA | 0.691 | 1.15 | 0.432 | 0.730 | 1.68 | III | complex6.pdb.gz | 27,28,58,59,60,63 |
| 7 | 0.24 | 1pdr2 | 0.719 | 1.83 | 0.396 | 0.793 | 1.63 | III | complex7.pdb.gz | 24,25,58,60,63 |
| 8 | 0.09 | 2x7z0 | 0.816 | 1.17 | 0.475 | 0.865 | 1.47 | III | complex8.pdb.gz | 15,18,19,20,21,22,23,64,66,108 |
| 9 | 0.08 | 1pdr0 | 0.719 | 1.83 | 0.396 | 0.793 | 1.38 | III | complex9.pdb.gz | 34,35,36,39,53,54,56,57,86,90 |
| 10 | 0.07 | 2h2b0 | 0.785 | 1.65 | 0.337 | 0.865 | 1.27 | III | complex10.pdb.gz | 30,31,32,33,34,35,36,37,40,41,42,43,44,51,53,54,86,93,108 |
| 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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