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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 | 0.44 | 2a1dB | 0.369 | 1.43 | 0.373 | 0.378 | 1.16 | 0G6 | complex1.pdb.gz | 431,477,569,570,571,573,574,575,594,595,596,598,599 |
| 2 | 0.40 | 2c8wB | 0.367 | 1.34 | 0.363 | 0.374 | 1.25 | C7M | complex2.pdb.gz | 431,474,476,477,552,569,570,571,572,575,593,594,595,596,597,598,599,606,607,608 |
| 3 | 0.39 | 3qdzD | 0.369 | 1.37 | 0.360 | 0.378 | 1.11 | III | complex3.pdb.gz | 431,569,570,572,573,575,593,596,598,606 |
| 4 | 0.25 | 8kme2 | 0.368 | 1.33 | 0.362 | 0.376 | 1.17 | III | complex4.pdb.gz | 552,569,570,572,594,595,596,597,598,599 |
| 5 | 0.24 | 1nrpH | 0.369 | 1.38 | 0.364 | 0.378 | 0.92 | III | complex5.pdb.gz | 431,575,594,595,596,598 |
| 6 | 0.23 | 1no9H | 0.370 | 1.34 | 0.360 | 0.378 | 1.04 | 4ND | complex6.pdb.gz | 431,570,571,575,593,594,595 |
| 7 | 0.19 | 1uvsH | 0.358 | 1.39 | 0.376 | 0.366 | 1.27 | III | complex7.pdb.gz | 395,396,397,398,400,401,494,495,497,498,499,500,512,515,536,581,582,586,587 |
| 8 | 0.17 | 3p70B | 0.368 | 1.37 | 0.366 | 0.376 | 1.67 | NA | complex8.pdb.gz | 418,419,427,428,576,577,578,589,592 |
| 9 | 0.16 | 1sb1H | 0.367 | 1.29 | 0.368 | 0.374 | 1.55 | NA | complex9.pdb.gz | 402,417,517,518,574,577 |
| 10 | 0.07 | 1abiH | 0.368 | 1.33 | 0.362 | 0.376 | 1.23 | III | complex10.pdb.gz | 406,408,412,413,414,415,416,431,435,443,445,451,452,453,454,458,459,460,462,476,477,569,570,571,572,573,575,593,594,595,596,598,606 |
| 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. |
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