|
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 | 0.93 | 2imgA | 0.988 | 0.35 | 1.000 | 0.993 | 2.01 | MLT | complex1.pdb.gz | 95,96,97,98,99,100,101 |
| 2 | 0.51 | 2fjmA | 0.835 | 2.44 | 0.173 | 1.000 | 1.18 | 073 | complex2.pdb.gz | 65,66,95,96,97,98,99,100,101,130,131,134 |
| 3 | 0.33 | 1kakA | 0.842 | 2.38 | 0.173 | 1.000 | 1.03 | FNP | complex3.pdb.gz | 65,66,96,97,99,101,134 |
| 4 | 0.28 | 3eaxA | 0.821 | 2.55 | 0.167 | 1.000 | 0.87 | LZP | complex4.pdb.gz | 96,97,100,101,134,138 |
| 5 | 0.05 | 2hcmA | 0.849 | 2.18 | 0.193 | 0.967 | 0.88 | WO4 | complex5.pdb.gz | 44,45,96,101 |
| 6 | 0.04 | 1q6tB | 0.839 | 2.42 | 0.173 | 1.000 | 0.93 | 600 | complex6.pdb.gz | 100,104,107,108 |
| 7 | 0.04 | 3d42A | 0.834 | 2.34 | 0.180 | 1.000 | 0.82 | TAR | complex7.pdb.gz | 18,101,105 |
| 8 | 0.04 | 1ptyA | 0.838 | 2.39 | 0.160 | 1.000 | 0.92 | PTR | complex8.pdb.gz | 99,126,130,131,134 |
| 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. |
|