|
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 | 0.75 | 3iucA | 0.550 | 2.35 | 0.509 | 0.589 | 1.25 | ADP | Download | 12,13,14,15,172,173,201,239,242,243,313,314,315,317,318 |
| 2 | 0.49 | 3ldpA | 0.550 | 2.46 | 0.509 | 0.592 | 0.98 | 3P1 | Download | 15,173,201,242,314,317,318,340 |
| 3 | 0.26 | 3i33A | 0.549 | 2.38 | 0.500 | 0.589 | 1.72 | PO4 | Download | 12,13,70,119,147,175 |
| 4 | 0.07 | 1dkg2 | 0.538 | 2.86 | 0.534 | 0.592 | 0.94 | III | Download | 30,33,50,54,57,58,60,61,105,106,107,108 |
| 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. |
|