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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 | 0.06 | 1bk6A | 0.784 | 2.06 | 0.171 | 0.950 | 0.52 | III | complex1.pdb.gz | 35,36,39,43,70,74 |
| 2 | 0.04 | 2bptA | 0.811 | 1.72 | 0.203 | 0.988 | 0.55 | III | complex2.pdb.gz | 32,35,36,39,40 |
| 3 | 0.03 | 3a6pA | 0.793 | 1.56 | 0.133 | 0.938 | 0.51 | III | complex3.pdb.gz | 39,42,52 |
| 4 | 0.03 | 2l1lB | 0.727 | 2.08 | 0.152 | 0.988 | 0.51 | III | complex4.pdb.gz | 20,23,24,27,30,44,45,48,49,52,56,59,60,64 |
| 5 | 0.03 | 1o6pB | 0.834 | 1.57 | 0.089 | 0.988 | 0.57 | III | complex5.pdb.gz | 34,38,41,42 |
| 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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