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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 | 2dtuA | 0.342 | 6.75 | 0.073 | 0.540 | 0.16 | UUU | complex1.pdb.gz | 180,182,301,302 |
| 2 | 0.01 | 3taeB | 0.357 | 6.39 | 0.061 | 0.529 | 0.34 | UUU | complex2.pdb.gz | 180,375,379 |
| 3 | 0.01 | 1tfyA | 0.431 | 3.61 | 0.104 | 0.509 | 0.11 | RQA | complex3.pdb.gz | 195,376,379,380,383,386 |
| 4 | 0.01 | 2q66A | 0.491 | 4.08 | 0.089 | 0.597 | 0.11 | QNA | complex4.pdb.gz | 194,377,383,384,388 |
| 5 | 0.01 | 2zh6A | 0.438 | 3.56 | 0.081 | 0.515 | 0.12 | ATP | complex5.pdb.gz | 181,184,342,373 |
| 6 | 0.01 | 2p5oA | 0.353 | 6.45 | 0.060 | 0.524 | 0.15 | QNA | complex6.pdb.gz | 180,182,301,302 |
| 7 | 0.01 | 2b51A | 0.481 | 3.52 | 0.086 | 0.562 | 0.16 | UTP | complex7.pdb.gz | 354,355,356,357 |
| 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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