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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 | 0.01 | 2y0pA | 0.269 | 7.93 | 0.030 | 0.504 | 0.23 | ACO | complex1.pdb.gz | 24,36,56,57,58,60,61 |
| 2 | 0.01 | 3ho8D | 0.336 | 7.22 | 0.041 | 0.580 | 0.27 | COA | complex2.pdb.gz | 37,40,41,43 |
| 3 | 0.01 | 1pwpB | 0.357 | 7.01 | 0.036 | 0.595 | 0.14 | NSC | complex3.pdb.gz | 5,6,39,42 |
| 4 | 0.01 | 2xtaA | 0.276 | 7.14 | 0.033 | 0.460 | 0.31 | ACO | complex4.pdb.gz | 32,56,58,59,67 |
| 5 | 0.01 | 1pwuB | 0.314 | 7.45 | 0.042 | 0.549 | 0.27 | GM6 | complex5.pdb.gz | 34,38,62,63,65,70 |
| 6 | 0.01 | 1pwqB | 0.358 | 7.10 | 0.036 | 0.600 | 0.24 | SD2 | complex6.pdb.gz | 23,24,25,55 |
| 7 | 0.01 | 2y6iA | 0.374 | 7.43 | 0.045 | 0.662 | 0.22 | III | complex7.pdb.gz | 36,37,55,57 |
| 8 | 0.01 | 1pwvA | 0.356 | 6.94 | 0.033 | 0.590 | 0.11 | III | complex8.pdb.gz | 33,37,38 |
| 9 | 0.01 | 1vrqA | 0.356 | 7.40 | 0.065 | 0.614 | 0.38 | FMN | complex9.pdb.gz | 22,23,27,56 |
| 10 | 0.01 | 1pwqA | 0.356 | 6.84 | 0.039 | 0.580 | 0.25 | SD2 | complex10.pdb.gz | 43,44,52 |
| 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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