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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 | 0.05 | 1xepA | 0.188 | 5.70 | 0.049 | 0.286 | 0.57 | CAQ | complex1.pdb.gz | 127,130,131 |
| 2 | 0.03 | 3c9mA | 0.795 | 2.57 | 0.097 | 0.868 | 0.40 | RET | complex2.pdb.gz | 130,133,232,282,285,310 |
| 3 | 0.02 | 1ln6A | 0.550 | 5.34 | 0.072 | 0.804 | 0.48 | RET | complex3.pdb.gz | 90,91,125,126,127,129,130,178,309,310 |
| 4 | 0.01 | 187lA | 0.196 | 4.88 | 0.058 | 0.266 | 0.44 | PXY | complex4.pdb.gz | 127,131,171,174 |
| 5 | 0.01 | 1l83A | 0.176 | 5.46 | 0.062 | 0.255 | 0.48 | BNZ | complex5.pdb.gz | 127,130,172,180 |
| 6 | 0.01 | 3gupA | 0.190 | 5.74 | 0.047 | 0.294 | 0.43 | 0PY | complex6.pdb.gz | 130,131,171,180 |
| 7 | 0.01 | 3dnaA | 0.188 | 5.85 | 0.047 | 0.294 | 0.46 | PIH | complex7.pdb.gz | 130,134,174,177,178 |
| 8 | 0.01 | 1li3A | 0.197 | 4.99 | 0.058 | 0.269 | 0.43 | 3CH | complex8.pdb.gz | 131,134,171,179 |
| 9 | 0.01 | 1li6A | 0.196 | 4.94 | 0.065 | 0.266 | 0.46 | 5MP | complex9.pdb.gz | 130,134,171,180,228 |
| 10 | 0.01 | 3dn1A | 0.185 | 5.91 | 0.089 | 0.286 | 0.40 | BCF | complex10.pdb.gz | 127,130,131,171,174,181,230 |
| 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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