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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 | 0.93 | 3rabA | 0.751 | 0.96 | 0.864 | 0.772 | 1.96 | GNP | complex1.pdb.gz | 31,32,33,34,35,36,37,47,48,49,50,51,53,54,80,135,136,138,139,165,166,167 |
| 2 | 0.41 | 1nvvR | 0.655 | 2.29 | 0.321 | 0.717 | 1.25 | PO4 | complex2.pdb.gz | 32,33,34,35,36,78,80 |
| 3 | 0.28 | 1xd2A | 0.729 | 1.08 | 0.321 | 0.753 | 1.44 | PO4 | complex3.pdb.gz | 31,35,52,54,55,79,80,81 |
| 4 | 0.24 | 1agpA | 0.723 | 1.22 | 0.327 | 0.753 | 1.09 | MG | complex4.pdb.gz | 35,36,54,77,78 |
| 5 | 0.23 | 1z0k0 | 0.748 | 1.05 | 0.385 | 0.772 | 1.46 | III | complex5.pdb.gz | 19,39,40,43,55,56,57,58,59,60,61,72,74,76,83,84,87,91 |
| 6 | 0.08 | 3nkvA | 0.761 | 0.83 | 0.482 | 0.776 | 0.97 | AMP | complex6.pdb.gz | 74,76,91 |
| 7 | 0.08 | 2bcg1 | 0.802 | 2.12 | 0.411 | 0.868 | 1.23 | III | complex7.pdb.gz | 58,59,76,77,79,88,89,90,91,93,124,125 |
| 8 | 0.07 | 2uzi1 | 0.724 | 1.20 | 0.327 | 0.753 | 1.51 | III | complex8.pdb.gz | 36,44,46,48,51,52,53,55,57,58,59,60,84 |
| 9 | 0.06 | 3rslA | 0.681 | 1.16 | 0.329 | 0.708 | 1.50 | RSF | complex9.pdb.gz | 30,31,106,108,109 |
| 10 | 0.06 | 5p210 | 0.722 | 1.25 | 0.327 | 0.753 | 1.27 | III | complex10.pdb.gz | 147,151,155,158,159,161,162,163,174,181 |
| 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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