|
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 | 0.02 | 1biqA | 0.587 | 3.98 | 0.085 | 0.816 | 0.58 | UUU | complex1.pdb.gz | 56,92,95,118,125 |
| 2 | 0.02 | 1biqA | 0.587 | 3.98 | 0.085 | 0.816 | 0.56 | FE | complex2.pdb.gz | 27,31,91,95,125 |
| 3 | 0.02 | 2w6dB | 0.610 | 3.27 | 0.058 | 0.803 | 0.94 | CPL | complex3.pdb.gz | 96,97,98,121,122,124 |
| 4 | 0.01 | 2bu8A | 0.577 | 3.52 | 0.027 | 0.803 | 0.87 | TF4 | complex4.pdb.gz | 42,98,99,101,111,114,115,118 |
| 5 | 0.01 | 1u8vC | 0.615 | 3.86 | 0.020 | 0.928 | 0.59 | FAD | complex5.pdb.gz | 25,27,123,124,126 |
| 6 | 0.01 | 2ibfA | 0.423 | 3.89 | 0.056 | 0.632 | 0.58 | III | complex6.pdb.gz | 115,116,118,119,122,123,126,129,130 |
| 7 | 0.01 | 2gdcA | 0.419 | 3.61 | 0.021 | 0.572 | 0.53 | III | complex7.pdb.gz | 82,119,126,130,133,134,137 |
| 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. |
|