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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 | 0.10 | 3aymB | 0.769 | 3.03 | 0.194 | 0.868 | 0.67 | RET | complex1.pdb.gz | 77,81,108,109,112,113,258,285,289 |
| 2 | 0.08 | 2hpyB | 0.784 | 3.59 | 0.164 | 0.916 | 0.41 | RET | complex2.pdb.gz | 43,111,112,115,116,254 |
| 3 | 0.05 | 2ziyA | 0.769 | 2.94 | 0.197 | 0.865 | 0.50 | RET | complex3.pdb.gz | 74,111,116,120,218,222,254 |
| 4 | 0.04 | 1f88B | 0.750 | 3.30 | 0.154 | 0.862 | 0.53 | UUU | complex4.pdb.gz | 40,43,78,79 |
| 5 | 0.04 | 2rh1A | 0.733 | 2.81 | 0.218 | 0.811 | 0.63 | CLR | complex5.pdb.gz | 38,42,45,46 |
| 6 | 0.04 | 1ln6A | 0.544 | 5.22 | 0.110 | 0.799 | 0.41 | RET | complex6.pdb.gz | 69,70,73,113,114,215,292,293 |
| 7 | 0.01 | 1owyA | 0.210 | 4.70 | 0.029 | 0.282 | 0.43 | PRY | complex7.pdb.gz | 44,47,48,112 |
| 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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