|
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 | 3mrxA | 0.408 | 6.40 | 0.043 | 0.677 | 0.19 | 17S | complex1.pdb.gz | 24,25,28 |
| 2 | 0.01 | 1l5qA | 0.303 | 6.50 | 0.053 | 0.520 | 0.32 | 700 | complex2.pdb.gz | 25,26,29 |
| 3 | 0.01 | 2zzgA | 0.412 | 6.43 | 0.042 | 0.677 | 0.12 | A5A | complex3.pdb.gz | 21,22,23,127,162 |
| 4 | 0.01 | 1abbA | 0.420 | 6.17 | 0.045 | 0.686 | 0.10 | PDP | complex4.pdb.gz | 132,137,161 |
| 5 | 0.01 | 1fc0B | 0.358 | 6.51 | 0.039 | 0.599 | 0.13 | NBG | complex5.pdb.gz | 26,28,181,182 |
| 6 | 0.01 | 3cehA | 0.304 | 6.45 | 0.052 | 0.517 | 0.21 | AVE | complex6.pdb.gz | 19,22,23,26 |
| 7 | 0.01 | 1b25A | 0.410 | 5.86 | 0.059 | 0.646 | 0.13 | PTT | complex7.pdb.gz | 21,133,134,135,167,247,249,250 |
| 8 | 0.01 | 3ms4A | 0.406 | 6.42 | 0.043 | 0.677 | 0.22 | 21N | complex8.pdb.gz | 87,91,92,114,117 |
| 9 | 0.01 | 2jiwA | 0.391 | 5.99 | 0.044 | 0.627 | 0.11 | BEU | complex9.pdb.gz | 23,30,134 |
| 10 | 0.01 | 2w67A | 0.410 | 6.05 | 0.046 | 0.665 | 0.18 | F34 | complex10.pdb.gz | 123,136,140 |
| 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. |
|