|
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 | 3nm5A | 0.412 | 3.55 | 0.062 | 0.756 | 0.26 | FMC | complex1.pdb.gz | 31,54,55,56,68,79 |
| 2 | 0.01 | 3m54A | 0.289 | 4.27 | 0.014 | 0.598 | 0.20 | III | complex2.pdb.gz | 48,50,53,54,56 |
| 3 | 0.01 | 1qs2A | 0.331 | 4.00 | 0.025 | 0.573 | 0.16 | NAD | complex3.pdb.gz | 43,44,62,65 |
| 4 | 0.01 | 3m58A | 0.414 | 3.91 | 0.076 | 0.756 | 0.17 | III | complex4.pdb.gz | 58,59,64 |
| 5 | 0.01 | 2c8fE | 0.296 | 4.84 | 0.030 | 0.622 | 0.14 | NAD | complex5.pdb.gz | 20,21,52,53,64 |
| 6 | 0.01 | 3c8cA | 0.361 | 4.34 | 0.042 | 0.720 | 0.19 | ALA | complex6.pdb.gz | 52,54,55,76 |
| 7 | 0.01 | 3cboA | 0.292 | 4.30 | 0.014 | 0.598 | 0.19 | SAH | complex7.pdb.gz | 24,50,67,69,70 |
| 8 | 0.01 | 1qayB | 0.391 | 4.59 | 0.070 | 0.829 | 0.16 | NAD | complex8.pdb.gz | 54,56,57,58,59,60,61,64 |
| 9 | 0.01 | 3m5aA | 0.286 | 4.86 | 0.048 | 0.634 | 0.16 | III | complex9.pdb.gz | 56,57,58,63,79 |
| 10 | 0.01 | 1ojzA | 0.260 | 5.62 | 0.068 | 0.732 | 0.17 | NAD | complex10.pdb.gz | 47,52,53,58 |
| 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. |
|