|
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 | 0.03 | 1k0aB | 0.446 | 3.36 | 0.140 | 0.522 | 0.24 | GTT | complex1.pdb.gz | 135,216,217,218,223 |
| 2 | 0.02 | 3lszD | 0.453 | 2.97 | 0.145 | 0.519 | 0.17 | GSH | complex2.pdb.gz | 215,223,278 |
| 3 | 0.02 | 1k0bC | 0.449 | 3.59 | 0.132 | 0.531 | 0.25 | GTT | complex3.pdb.gz | 212,221,237,238 |
| 4 | 0.01 | 2dsaB | 0.453 | 3.15 | 0.142 | 0.525 | 0.19 | GSH | complex4.pdb.gz | 137,138,216,217,222 |
| 5 | 0.01 | 1jzrA | 0.451 | 3.55 | 0.132 | 0.531 | 0.18 | GTT | complex5.pdb.gz | 209,215,216 |
| 6 | 0.01 | 3lszB | 0.453 | 2.94 | 0.144 | 0.519 | 0.20 | GSH | complex6.pdb.gz | 271,272,277 |
| 7 | 0.01 | 1k0bA | 0.445 | 3.44 | 0.140 | 0.522 | 0.23 | GTT | complex7.pdb.gz | 209,215,216,221 |
| 8 | 0.01 | 1k0dA | 0.443 | 3.37 | 0.141 | 0.519 | 0.21 | GSH | complex8.pdb.gz | 215,217,218 |
| 9 | 0.01 | 2hnlB | 0.444 | 2.72 | 0.134 | 0.506 | 0.25 | GTT | complex9.pdb.gz | 272,273,274 |
| 10 | 0.01 | 2vd1A | 0.448 | 2.76 | 0.120 | 0.512 | 0.23 | GSH | complex10.pdb.gz | 217,271,278 |
| 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. |
|