|
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 | 3nl5C | 0.371 | 4.53 | 0.090 | 0.686 | 0.24 | ACP | complex1.pdb.gz | 43,44,47,50,57 |
| 2 | 0.01 | 2ri9A | 0.450 | 3.95 | 0.024 | 0.771 | 0.26 | UUU | complex2.pdb.gz | 48,52,55,59 |
| 3 | 0.01 | 1cscA | 0.332 | 4.80 | 0.025 | 0.629 | 0.13 | CMC | complex3.pdb.gz | 23,24,26,48,52,53 |
| 4 | 0.01 | 1w1i1 | 0.310 | 4.89 | 0.029 | 0.619 | 0.22 | III | complex4.pdb.gz | 50,90,93,94,97,98 |
| 5 | 0.01 | 3nl3B | 0.459 | 3.62 | 0.048 | 0.714 | 0.13 | TPS | complex5.pdb.gz | 33,47,88,89 |
| 6 | 0.01 | 3pnlB | 0.451 | 4.35 | 0.033 | 0.771 | 0.22 | ADP | complex6.pdb.gz | 61,85,86,91,92 |
| 7 | 0.01 | 3nm3D | 0.472 | 3.94 | 0.034 | 0.762 | 0.29 | POP | complex7.pdb.gz | 12,27,46 |
| 8 | 0.01 | 3nm3A | 0.470 | 3.82 | 0.046 | 0.752 | 0.16 | TPS | complex8.pdb.gz | 40,42,43,47,52 |
| 9 | 0.01 | 1al6A | 0.461 | 4.73 | 0.043 | 0.857 | 0.14 | HAX | complex9.pdb.gz | 60,90,92 |
| 10 | 0.01 | 3nl3E | 0.451 | 4.14 | 0.044 | 0.771 | 0.17 | TPS | complex10.pdb.gz | 61,77,93 |
| 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. |
|