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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 | 1jdbE | 0.450 | 7.59 | 0.091 | 0.661 | 0.30 | PO4 | complex1.pdb.gz | 398,421,459 |
| 2 | 0.01 | 2j9gA | 0.332 | 6.08 | 0.082 | 0.432 | 0.16 | ANP | complex2.pdb.gz | 397,399,402,403,404,405,421 |
| 3 | 0.01 | 2w71C | 0.334 | 6.14 | 0.094 | 0.436 | 0.14 | L23 | complex3.pdb.gz | 397,484,489,617,722 |
| 4 | 0.01 | 1a9xA | 0.447 | 7.77 | 0.092 | 0.665 | 0.19 | ADP | complex4.pdb.gz | 396,397,398,400,401,402,403 |
| 5 | 0.01 | 1vbhA | 0.342 | 8.08 | 0.059 | 0.517 | 0.18 | PEP | complex5.pdb.gz | 422,470,471 |
| 6 | 0.01 | 1a9x1 | 0.447 | 7.77 | 0.092 | 0.665 | 0.21 | III | complex6.pdb.gz | 397,398,400 |
| 7 | 0.01 | 1ce8G | 0.451 | 7.67 | 0.090 | 0.666 | 0.24 | IMP | complex7.pdb.gz | 398,399,422,424 |
| 8 | 0.01 | 1ce8A | 0.448 | 7.71 | 0.092 | 0.663 | 0.27 | IMP | complex8.pdb.gz | 389,395,396,397,412,413,416,417 |
| 9 | 0.01 | 1a9x2 | 0.448 | 7.69 | 0.090 | 0.663 | 0.27 | III | complex9.pdb.gz | 396,400,401,439,440 |
| 10 | 0.01 | 2w6mA | 0.330 | 6.17 | 0.092 | 0.433 | 0.15 | OA1 | complex10.pdb.gz | 398,453,722 |
| 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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