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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 | 0.77 | 3k35A | 0.744 | 1.45 | 0.982 | 0.769 | 1.98 | APR | complex1.pdb.gz | 52,53,54,57,63,64,65,71,113,133,214,215,216,219,240,241,242,256,257,258 |
| 2 | 0.46 | 3k35A | 0.744 | 1.45 | 0.982 | 0.769 | 1.61 | ZN | complex2.pdb.gz | 141,144,166 |
| 3 | 0.19 | 1yc5A | 0.522 | 3.10 | 0.356 | 0.583 | 1.71 | NCA | complex3.pdb.gz | 53,61,62,63,64,114,115,116 |
| 4 | 0.07 | 3gltA | 0.554 | 3.64 | 0.283 | 0.648 | 1.08 | III | complex4.pdb.gz | 52,53,54,57,63,64,65,66,113,133,185,186,187,188,189,190,191,192,214,215,216,218,219,220,221,240,241,256,257,258 |
| 5 | 0.06 | 3jr3A | 0.529 | 3.26 | 0.353 | 0.594 | 0.96 | III | complex5.pdb.gz | 133,185,186,188,189,190,191,192,197,218,219,220,221 |
| 6 | 0.06 | 2h59A | 0.545 | 3.35 | 0.367 | 0.617 | 0.88 | III | complex6.pdb.gz | 65,188,189,192,218,219,220 |
| 7 | 0.05 | 1m2n0 | 0.556 | 3.38 | 0.312 | 0.637 | 1.13 | III | complex7.pdb.gz | 93,96,100,103,263,267 |
| 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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