|
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 | 0.06 | 2h6kB | 0.520 | 1.90 | 0.236 | 0.544 | 0.91 | III | complex1.pdb.gz | 42,100,126,142,185,186,226,253 |
| 2 | 0.06 | 3pslB | 0.516 | 1.83 | 0.244 | 0.539 | 0.78 | III | complex2.pdb.gz | 40,41,42,82,83,84,100,126,308 |
| 3 | 0.04 | 2ce9A | 0.517 | 1.98 | 0.170 | 0.542 | 0.70 | III | complex3.pdb.gz | 42,84,126,142,168,210,226,252 |
| 4 | 0.03 | 1got3 | 0.515 | 1.86 | 0.155 | 0.539 | 0.77 | III | complex4.pdb.gz | 100,101,124,126,142,166,168,250,268 |
| 5 | 0.02 | 1xhm0 | 0.514 | 2.32 | 0.156 | 0.544 | 0.67 | III | complex5.pdb.gz | 240,242,243,257,258,259,262 |
| 6 | 0.02 | 1omw3 | 0.514 | 1.91 | 0.155 | 0.539 | 0.67 | III | complex6.pdb.gz | 100,124,126,142,166,210,268,308 |
| 7 | 0.02 | 1b9y2 | 0.509 | 2.40 | 0.154 | 0.544 | 0.66 | III | complex7.pdb.gz | 67,68,145,156,157,159,161,201,202,215,231,233,235,236,237,238,257,258,259,261,262 |
| 8 | 0.02 | 1b9y0 | 0.509 | 2.40 | 0.154 | 0.544 | 0.65 | III | complex8.pdb.gz | 41,42,126,168,185,210,226,252 |
| | 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. |
|