|
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 | 0.07 | 1u5t0 | 0.653 | 3.02 | 0.373 | 0.771 | 1.23 | III | complex1.pdb.gz | 112,113,114,217,218,220,223,224,225,227,235,236 |
| 2 | 0.06 | 1u5t2 | 0.653 | 3.02 | 0.373 | 0.771 | 1.01 | III | complex2.pdb.gz | 95,98,99,102,105,112,150,153,154,155,156,172,173,174,215,217,218,219 |
| 3 | 0.01 | 3ai7C | 0.345 | 6.15 | 0.043 | 0.589 | 0.47 | TPP | complex3.pdb.gz | 112,116,118,158 |
| 4 | 0.01 | 2y4sA | 0.414 | 6.03 | 0.054 | 0.694 | 0.65 | CA | complex4.pdb.gz | 118,220,221 |
| 5 | 0.01 | 3shfA | 0.400 | 6.49 | 0.028 | 0.713 | 0.40 | GBL | complex5.pdb.gz | 117,216,220 |
| 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. |
|