|
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 | 0.66 | 3iucA | 0.721 | 1.35 | 0.390 | 0.741 | 1.51 | ADP | complex1.pdb.gz | 9,10,11,12,199,200,228,266,269,270,273,336,337,338,340,341 |
| 2 | 0.38 | 3fzlA | 0.698 | 2.01 | 0.378 | 0.739 | 1.18 | 3FD | complex2.pdb.gz | 12,34,200,266,269,270,337,338,340,341,364 |
| 3 | 0.12 | 3i33A | 0.716 | 1.67 | 0.396 | 0.745 | 1.18 | PO4 | complex3.pdb.gz | 9,10,68,144,172,202 |
| 4 | 0.06 | 1dkg2 | 0.694 | 1.80 | 0.349 | 0.727 | 1.21 | III | complex4.pdb.gz | 27,30,47,51,54,55,57,58,130,259,260,263 |
| 5 | 0.02 | 3m6gB | 0.531 | 3.28 | 0.116 | 0.599 | 0.88 | LO3 | complex5.pdb.gz | 25,368,369,372 |
| 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. |
|