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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 | 0.03 | 2i7nA | 0.495 | 4.78 | 0.119 | 0.761 | 0.45 | ACO | complex1.pdb.gz | 129,163,167,168 |
| 2 | 0.02 | 1g99A | 0.495 | 4.65 | 0.099 | 0.750 | 0.49 | ADP | complex2.pdb.gz | 133,134,140,141,142,168,171,172 |
| 3 | 0.02 | 2i7nA | 0.495 | 4.78 | 0.119 | 0.761 | 0.42 | ACO | complex3.pdb.gz | 135,136,137,162 |
| 4 | 0.01 | 1tuuB | 0.491 | 4.67 | 0.077 | 0.744 | 0.51 | AMP | complex4.pdb.gz | 129,137,138,168,169 |
| 5 | 0.01 | 1czaN | 0.493 | 4.59 | 0.049 | 0.772 | 0.44 | ADP | complex5.pdb.gz | 123,126,130,134,166,167 |
| 6 | 0.01 | 3imxA | 0.487 | 4.69 | 0.054 | 0.772 | 0.48 | NA | complex6.pdb.gz | 129,130,132,168 |
| 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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