|
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 | 2rh1A | 0.633 | 3.10 | 0.211 | 0.702 | 0.82 | CLR | complex1.pdb.gz | 74,78,82,120,123 |
| 2 | 0.05 | 3pdsA | 0.631 | 3.19 | 0.218 | 0.702 | 0.61 | CLR | complex2.pdb.gz | 69,75,78,82,156,159,160,163 |
| 3 | 0.04 | 2rh1A | 0.633 | 3.10 | 0.211 | 0.702 | 0.95 | CLR | complex3.pdb.gz | 51,54,57,58,89 |
| 4 | 0.04 | 2i37A | 0.671 | 2.82 | 0.200 | 0.740 | 0.77 | UUU | complex4.pdb.gz | 53,56,57,88,89 |
| 5 | 0.01 | 1c6gA | 0.142 | 5.10 | 0.026 | 0.192 | 0.73 | KR | complex5.pdb.gz | 52,55,56,81 |
| 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. |
|