|
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 | 0.01 | 1a4zB | 0.443 | 4.01 | 0.023 | 0.750 | 0.11 | NAD | complex1.pdb.gz | 24,25,29,45 |
| 2 | 0.01 | 1nzwB | 0.452 | 4.66 | 0.020 | 0.824 | 0.12 | NAD | complex2.pdb.gz | 82,92,96 |
| 3 | 0.01 | 1floC | 0.456 | 4.31 | 0.045 | 0.787 | 0.13 | QNA | complex3.pdb.gz | 21,22,101 |
| 4 | 0.01 | 1nzxB | 0.460 | 4.87 | 0.040 | 0.852 | 0.25 | NAD | complex4.pdb.gz | 30,31,97,98,101 |
| 5 | 0.01 | 1nzxH | 0.461 | 4.80 | 0.030 | 0.843 | 0.21 | NAD | complex5.pdb.gz | 21,22,50,96 |
| 6 | 0.01 | 2onmI | 0.460 | 4.77 | 0.030 | 0.843 | 0.26 | ADP | complex6.pdb.gz | 26,30,31,96,97,98,101 |
| 7 | 0.01 | 1o02C | 0.460 | 4.80 | 0.030 | 0.843 | 0.15 | NAD | complex7.pdb.gz | 51,52,61 |
| 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. |
|