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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 | 0.10 | 2gjwA | 0.459 | 1.99 | 0.227 | 0.497 | 0.86 | RQA | complex1.pdb.gz | 240,245,247,255,256,284,285 |
| 2 | 0.10 | 2gjwD | 0.459 | 1.99 | 0.227 | 0.497 | 0.74 | RQA | complex2.pdb.gz | 279,282,283,285,306 |
| 3 | 0.05 | 2gjwC | 0.459 | 2.00 | 0.227 | 0.497 | 1.24 | RQA | complex3.pdb.gz | 239,240,245,247,255,256,284 |
| 4 | 0.04 | 2gjwA | 0.459 | 1.99 | 0.227 | 0.497 | 1.05 | QNA | complex4.pdb.gz | 279,282,283,285,306 |
| 5 | 0.03 | 1r0v0 | 0.460 | 2.00 | 0.227 | 0.497 | 0.71 | III | complex5.pdb.gz | 7,8,9,10,13,30,31,33,51,53,55,220,235,236,238,239,240,241,242,261,271,272,275,276,277,279,280,283 |
| | 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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