|
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 | 0.62 | 1q3dB | 0.640 | 2.78 | 0.291 | 0.693 | 1.52 | STU | complex1.pdb.gz | 141,142,144,149,162,164,211,212,213,260,263,273,274 |
| 2 | 0.57 | 3gb2A | 0.645 | 2.77 | 0.285 | 0.699 | 1.16 | G3B | complex2.pdb.gz | 146,149,162,164,210,211,212,213,262,274 |
| 3 | 0.53 | 3i4bB | 0.650 | 2.68 | 0.282 | 0.702 | 1.32 | Z48 | complex3.pdb.gz | 143,144,145,147,149,162,164,166,210,211,212,213,214,219,261,263,273,274 |
| 4 | 0.52 | 3eb0A | 0.616 | 2.01 | 0.293 | 0.648 | 0.86 | DRK | complex4.pdb.gz | 162,210,211,212,213,215,217,260,263,273 |
| 5 | 0.34 | 1q99B | 0.598 | 2.81 | 0.255 | 0.652 | 1.42 | ANP | complex5.pdb.gz | 143,144,145,146,147,149,162,164,194,211,213,274,277 |
| 6 | 0.34 | 1pmqA | 0.566 | 2.92 | 0.274 | 0.625 | 1.07 | 880 | complex6.pdb.gz | 141,144,149,162,163,164,194,196,208,210,212,213,215,216,219,260,261,273 |
| 7 | 0.33 | 2zduA | 0.559 | 2.50 | 0.272 | 0.608 | 1.21 | 446 | complex7.pdb.gz | 139,141,142,143,151,162,210,211,212,213,214,215,216,260,263,273 |
| 8 | 0.33 | 1q97B | 0.598 | 2.78 | 0.257 | 0.652 | 1.05 | ADN | complex8.pdb.gz | 143,149,162,195,211,212,213 |
| 9 | 0.32 | 2gmxB | 0.587 | 2.55 | 0.268 | 0.637 | 0.89 | 877 | complex9.pdb.gz | 139,141,149,162,164,263 |
| 10 | 0.31 | 3cgoA | 0.553 | 2.73 | 0.276 | 0.603 | 0.92 | JNO | complex10.pdb.gz | 141,143,149,162,210,211,213,214,215,219 |
| 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. |
|