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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 | 0.90 | 1kglA | 0.940 | 1.20 | 0.963 | 1.000 | 1.66 | RTL | complex1.pdb.gz | 17,34,37,39,41,52,54,56,58,59,61,63,77,78,107,109,120 |
| 2 | 0.80 | 1kqwA | 0.943 | 1.10 | 0.582 | 0.993 | 1.43 | RTL | complex2.pdb.gz | 17,21,39,41,58,59,63,77,78,107,109,118 |
| 3 | 0.51 | 2qm9A | 0.932 | 1.03 | 0.348 | 0.978 | 1.24 | TDZ | complex3.pdb.gz | 17,20,21,26,39,54,55,56,58,59,81,120,129,131 |
| 4 | 0.49 | 1fe3A | 0.916 | 1.15 | 0.374 | 0.970 | 0.80 | OLA | complex4.pdb.gz | 17,30,34,39,54,56,58,59,79 |
| 5 | 0.49 | 1touA | 0.928 | 1.01 | 0.344 | 0.970 | 1.01 | B1V | complex5.pdb.gz | 17,20,21,26,34,58,77,79,81,106,129,131 |
| 6 | 0.48 | 1licA | 0.925 | 1.03 | 0.344 | 0.970 | 0.99 | HDS | complex6.pdb.gz | 21,33,34,58,59,78,79,129,131 |
| 7 | 0.47 | 2nnqA | 0.924 | 1.04 | 0.344 | 0.970 | 0.82 | T4B | complex7.pdb.gz | 17,34,37,39,52,54,58,63,77,78 |
| 8 | 0.45 | 3hk1A | 0.919 | 1.11 | 0.344 | 0.970 | 0.89 | B64 | complex8.pdb.gz | 17,20,21,24,26,30,33,34,41,59,78,129,131 |
| 9 | 0.44 | 2jn3A | 0.844 | 1.45 | 0.288 | 0.926 | 1.33 | JN3 | complex9.pdb.gz | 17,20,21,24,26,30,34,37,52,56,58,59,63,65,73,76,78,81,83,85,87,94,96,104,105,107,109,120,122,127 |
| 10 | 0.08 | 1xca0 | 0.869 | 1.58 | 0.438 | 0.963 | 1.11 | III | complex10.pdb.gz | 13,15,16,19,110,112,115,117,125,126,128,130 |
| 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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