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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 | 2d1qA | 0.415 | 5.80 | 0.031 | 0.817 | 0.15 | AMP | complex1.pdb.gz | 67,115,116,122,126,127 |
| 2 | 0.01 | 2d0vD | 0.431 | 4.88 | 0.031 | 0.734 | 0.12 | PQQ | complex2.pdb.gz | 71,87,92,124,125,126,127,164 |
| 3 | 0.01 | 2c820 | 0.330 | 5.68 | 0.028 | 0.627 | 0.11 | III | complex3.pdb.gz | 86,137,138 |
| 4 | 0.01 | 2hu5B | 0.409 | 5.67 | 0.037 | 0.769 | 0.24 | UUU | complex4.pdb.gz | 43,44,70,126,139 |
| 5 | 0.01 | 2jcxA | 0.442 | 4.78 | 0.023 | 0.734 | 0.19 | FOM | complex5.pdb.gz | 87,88,115,137 |
| 6 | 0.01 | 1yiqA | 0.431 | 5.29 | 0.025 | 0.757 | 0.11 | PQQ | complex6.pdb.gz | 47,67,91,123,163,164 |
| 7 | 0.01 | 2jczB | 0.406 | 5.56 | 0.057 | 0.757 | 0.15 | NDP | complex7.pdb.gz | 44,48,89 |
| 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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