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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 | 2wbbH | 0.523 | 4.14 | 0.068 | 0.823 | 0.51 | RO3 | complex1.pdb.gz | 11,53,54,56 |
| 2 | 0.01 | 2wbdF | 0.521 | 4.18 | 0.068 | 0.823 | 0.41 | RO5 | complex2.pdb.gz | 10,11,53,55,56 |
| 3 | 0.01 | 1fsaB | 0.519 | 4.20 | 0.051 | 0.823 | 0.40 | AMP | complex3.pdb.gz | 10,11,12,15,55,56 |
| 4 | 0.01 | 1fbpB | 0.500 | 4.29 | 0.053 | 0.823 | 0.45 | AMP | complex4.pdb.gz | 10,11,12,14,15,16,56,73 |
| 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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