|
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 | 0.16 | 3pdsA | 0.571 | 4.03 | 0.508 | 0.658 | 0.44 | CLR | complex1.pdb.gz | 79,105,108,113 |
| 2 | 0.10 | 2rh1A | 0.573 | 4.04 | 0.523 | 0.660 | 1.05 | CLR | complex2.pdb.gz | 95,98,102,106,137,140 |
| 3 | 0.04 | 3dqbA | 0.638 | 2.10 | 0.173 | 0.677 | 0.41 | III | complex3.pdb.gz | 68,72,75,108,139 |
| 4 | 0.01 | 148lE | 0.179 | 4.75 | 0.069 | 0.231 | 0.41 | III | complex4.pdb.gz | 74,75,76,104,107,108 |
| 5 | 0.01 | 1li2A | 0.175 | 5.12 | 0.047 | 0.231 | 0.40 | IPH | complex5.pdb.gz | 75,76,108,112 |
| 6 | 0.01 | 1c6gA | 0.174 | 4.97 | 0.022 | 0.226 | 0.49 | KR | complex6.pdb.gz | 105,108,109,112,367 |
| 7 | 0.01 | 1li6A | 0.172 | 4.81 | 0.038 | 0.220 | 0.41 | 5MP | complex7.pdb.gz | 71,75,108,111 |
| 8 | 0.01 | 1c6mA | 0.171 | 4.66 | 0.038 | 0.218 | 0.44 | KR | complex8.pdb.gz | 72,73,107 |
| 9 | 0.01 | 1c6cA | 0.174 | 5.04 | 0.022 | 0.229 | 0.51 | AR | complex9.pdb.gz | 102,106,109,370 |
| 10 | 0.01 | 1c6fA | 0.173 | 4.65 | 0.037 | 0.220 | 0.54 | AR | complex10.pdb.gz | 74,104,110 |
| 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. |
|