|
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 | 0.87 | 2wtkC | 0.605 | 2.14 | 0.933 | 0.642 | 1.83 | ANP | complex1.pdb.gz | 56,58,59,60,61,63,76,78,129,130,132,138,183 |
| 2 | 0.52 | 3thbA | 0.606 | 2.17 | 0.274 | 0.642 | 1.45 | 3TA | complex2.pdb.gz | 55,56,57,58,63,76,111,130,131,132,134,138,180,183,193,194 |
| 3 | 0.44 | 3ow4A | 0.606 | 2.29 | 0.265 | 0.647 | 1.17 | SMY | complex3.pdb.gz | 55,56,61,62,63,76,129,130,131,135,183,193 |
| 4 | 0.30 | 3cqwA | 0.608 | 2.23 | 0.264 | 0.647 | 1.10 | CQW | complex4.pdb.gz | 63,76,78,111,129,130,132,135,180,181,183,193,194 |
| 5 | 0.28 | 3d5xA | 0.587 | 2.31 | 0.265 | 0.628 | 1.06 | KWT | complex5.pdb.gz | 57,58,61,63,76,78,111,129,130,181 |
| 6 | 0.28 | 3qkkA | 0.604 | 2.32 | 0.257 | 0.647 | 1.09 | SMH | complex6.pdb.gz | 55,56,57,58,60,61,63,76,78,85,95,129,132,135,180,181,183,193,194 |
| 7 | 0.27 | 3db6A | 0.598 | 2.39 | 0.261 | 0.644 | 1.04 | FRS | complex7.pdb.gz | 55,56,63,76,78,95,98,99,102,111,113,127,129,130,132,183,193,194 |
| 8 | 0.24 | 3fc2A | 0.614 | 2.13 | 0.259 | 0.651 | 0.90 | IBI | complex8.pdb.gz | 53,54,55,62,64,111,129,130,132,135,183 |
| 9 | 0.23 | 2owbA | 0.615 | 2.19 | 0.251 | 0.654 | 1.11 | 626 | complex9.pdb.gz | 53,54,55,57,58,61,62,63,76,78,130,132,134 |
| 10 | 0.06 | 1o6lA | 0.609 | 2.33 | 0.255 | 0.649 | 1.02 | III | complex10.pdb.gz | 137,176,178,180,197,213,214,215,216,217,218,219,220,247 |
| 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. |
|