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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 | 0.10 | 1z5nA | 0.646 | 3.18 | 0.158 | 0.817 | 0.54 | SR1 | Download | 25,91,113,114,130 |
| 2 | 0.09 | 1rr6A | 0.636 | 3.18 | 0.103 | 0.806 | 0.65 | PO4 | Download | 6,7,69,89,90 |
| 3 | 0.07 | 1rfgE | 0.636 | 3.26 | 0.107 | 0.812 | 0.52 | UUU | Download | 65,90,91,92,93,133,134 |
| 4 | 0.07 | 1cg6A | 0.647 | 3.00 | 0.102 | 0.796 | 0.50 | UUU | Download | 23,61,90,91,92,93,112,113,133,134,136 |
| 5 | 0.02 | 2a8yA | 0.650 | 3.02 | 0.089 | 0.801 | 0.73 | SO4 | Download | 6,7,24,60,61 |
| 6 | 0.02 | 1a9oA | 0.642 | 3.21 | 0.087 | 0.812 | 0.57 | PO4 | Download | 8,9,61,66,68 |
| 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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