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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 | 1hwyC | 0.366 | 5.49 | 0.102 | 0.724 | 0.25 | NAD | complex1.pdb.gz | 33,63,64,66,67,68,98 |
| 2 | 0.01 | 3eteE | 0.438 | 4.76 | 0.086 | 0.724 | 0.13 | NDP | complex2.pdb.gz | 100,101,104,105 |
| 3 | 0.01 | 3etgC | 0.376 | 5.52 | 0.078 | 0.752 | 0.14 | GTP | complex3.pdb.gz | 64,67,84 |
| 4 | 0.01 | 1hwyA | 0.366 | 5.49 | 0.102 | 0.724 | 0.40 | NAD | complex4.pdb.gz | 58,81,82 |
| 5 | 0.01 | 3mw9E | 0.384 | 5.21 | 0.035 | 0.710 | 0.32 | NAD | complex5.pdb.gz | 55,68,80,103 |
| 6 | 0.01 | 1nqtK | 0.418 | 5.45 | 0.078 | 0.772 | 0.13 | ADP | complex6.pdb.gz | 49,50,68,108 |
| 7 | 0.01 | 1hwzA | 0.439 | 4.98 | 0.102 | 0.745 | 0.14 | GTP | complex7.pdb.gz | 60,63,84 |
| 8 | 0.01 | 3mw9B | 0.436 | 4.97 | 0.087 | 0.738 | 0.38 | NAD | complex8.pdb.gz | 58,59,81,82 |
| 9 | 0.01 | 3mvqF | 0.377 | 5.41 | 0.074 | 0.724 | 0.13 | GLU | complex9.pdb.gz | 57,70,97,98 |
| 10 | 0.01 | 1nqtE | 0.431 | 5.09 | 0.094 | 0.745 | 0.33 | ADP | complex10.pdb.gz | 55,103,104 |
| 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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