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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 | 0.01 | 1k78B | 0.421 | 3.28 | 0.053 | 0.695 | 0.21 | QNA | complex1.pdb.gz | 62,66,68 |
| 2 | 0.01 | 1k79D | 0.427 | 3.25 | 0.070 | 0.695 | 0.19 | QNA | complex2.pdb.gz | 62,66,71 |
| 3 | 0.01 | 3mfkB | 0.420 | 3.25 | 0.070 | 0.695 | 0.38 | QNA | complex3.pdb.gz | 20,21,49,53 |
| 4 | 0.01 | 1yo5C | 0.430 | 3.21 | 0.069 | 0.707 | 0.19 | QNA | complex4.pdb.gz | 20,21,44,64 |
| 5 | 0.01 | 1lamA | 0.427 | 4.32 | 0.039 | 0.854 | 0.21 | CO3 | complex5.pdb.gz | 19,22,23 |
| 6 | 0.01 | 3kr5J | 0.418 | 4.40 | 0.039 | 0.866 | 0.16 | BEY | complex6.pdb.gz | 1,18,49 |
| 7 | 0.01 | 3kr5A | 0.419 | 4.40 | 0.039 | 0.866 | 0.10 | BEY | complex7.pdb.gz | 16,21,33 |
| 8 | 0.01 | 3kr5E | 0.389 | 4.49 | 0.013 | 0.829 | 0.16 | BEY | complex8.pdb.gz | 5,12,13 |
| 9 | 0.01 | 1k6oA | 0.419 | 3.34 | 0.088 | 0.695 | 0.32 | QNA | complex9.pdb.gz | 20,21,49,64 |
| 10 | 0.01 | 3kqzL | 0.431 | 4.52 | 0.039 | 0.866 | 0.18 | CO3 | complex10.pdb.gz | 58,59,60,61,64 |
| 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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