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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 | 0.64 | 1tghA | 0.519 | 1.03 | 1.000 | 0.531 | 1.70 | QNA | complex1.pdb.gz | 169,197,214,216,218,220,256,257,259,292,294,301,303,313,314 |
| 2 | 0.62 | 1qn4B | 0.519 | 1.06 | 0.797 | 0.531 | 1.69 | QNA | complex2.pdb.gz | 166,167,196,197,203,210,212,222,223,259,288,289,305,307,309,311 |
| 3 | 0.47 | 1nvpA | 0.522 | 0.90 | 1.000 | 0.531 | 1.77 | QNA | complex3.pdb.gz | 169,171,212,214,216,218,220,256,257,259,287,288,294,299,301,303,313,314 |
| 4 | 0.45 | 1c9bN | 0.520 | 0.83 | 0.994 | 0.528 | 1.96 | QNA | complex4.pdb.gz | 166,167,169,197,203,210,212,222,259,288,289,305,307,309,311 |
| 5 | 0.38 | 1ngmI | 0.523 | 0.86 | 0.806 | 0.531 | 1.86 | QNA | complex5.pdb.gz | 166,167,169,196,197,201,203,210,212,222,223,259,288,289,305,307,309,311 |
| 6 | 0.38 | 1ngmA | 0.521 | 0.95 | 0.806 | 0.531 | 1.84 | QNA | complex6.pdb.gz | 169,198,214,216,218,220,256,257,288,292,294,301,303,313 |
| 7 | 0.38 | 1ngmM | 0.521 | 0.97 | 0.806 | 0.531 | 1.83 | QNA | complex7.pdb.gz | 166,167,169,196,197,201,203,208,210,212,222,223,225,259,288,289,305,306,307,309,311 |
| 8 | 0.37 | 1nh2A | 0.524 | 0.78 | 0.806 | 0.531 | 1.73 | UUU | complex8.pdb.gz | 169,171,197,212,214,216,218,220,256,257,259,287,288,294,301,303,313,314 |
| 9 | 0.37 | 1ngm0 | 0.521 | 0.95 | 0.806 | 0.531 | 1.66 | III | complex9.pdb.gz | 181,185,186,187,188,189,190,192,193,194,204,205,206,226,227,228,231,232,235,236,238,239,240,242,243,249,250,253,317,318,319,322 |
| 10 | 0.37 | 1tbp0 | 0.506 | 1.56 | 0.800 | 0.531 | 1.69 | III | complex10.pdb.gz | 166,167,212,256,259,269,275,278,282,292,294,295,299,300,301,311,313 |
| 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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