|
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 | 1wpgA | 0.381 | 7.10 | 0.032 | 0.652 | 0.11 | ADP | complex1.pdb.gz | 286,296,301,302 |
| 2 | 0.01 | 3fgoA | 0.382 | 6.89 | 0.029 | 0.646 | 0.11 | ACP | complex2.pdb.gz | 285,295,297,301,302 |
| 3 | 0.01 | 2eauA | 0.379 | 6.77 | 0.039 | 0.623 | 0.36 | PTY | complex3.pdb.gz | 200,204,214 |
| 4 | 0.01 | 2dqsA | 0.379 | 6.81 | 0.048 | 0.625 | 0.23 | ACP | complex4.pdb.gz | 218,223,231,232,233 |
| 5 | 0.01 | 2eauA | 0.379 | 6.77 | 0.039 | 0.623 | 0.14 | CZA | complex5.pdb.gz | 235,237,238,259 |
| 6 | 0.01 | 1t5sA | 0.383 | 7.39 | 0.045 | 0.675 | 0.10 | ACP | complex6.pdb.gz | 320,325,326,331,332,340 |
| 7 | 0.01 | 2oa0A | 0.348 | 7.32 | 0.051 | 0.617 | 0.19 | CZA | complex7.pdb.gz | 284,302,306,310,322,323 |
| 8 | 0.01 | 3nanA | 0.385 | 7.03 | 0.050 | 0.652 | 0.24 | PTY | complex8.pdb.gz | 188,205,224,226,227 |
| 9 | 0.01 | 1wpgB | 0.382 | 7.12 | 0.020 | 0.657 | 0.10 | ADP | complex9.pdb.gz | 190,200,205,206 |
| 10 | 0.01 | 3ar9A | 0.377 | 7.20 | 0.026 | 0.654 | 0.22 | TM1 | complex10.pdb.gz | 167,168,235,242,243,244 |
| 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. |
|