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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 | 0.05 | 2ikfA | 0.431 | 3.08 | 0.207 | 0.474 | 0.22 | UTP | complex1.pdb.gz | 230,231,232,376,377,378 |
| 2 | 0.04 | 2nomA | 0.430 | 3.13 | 0.207 | 0.474 | 0.28 | DUT | complex2.pdb.gz | 333,336,337,377,378 |
| 3 | 0.02 | 2b51A | 0.461 | 3.36 | 0.162 | 0.510 | 0.20 | UTP | complex3.pdb.gz | 232,233,245 |
| 4 | 0.01 | 2nomB | 0.328 | 3.32 | 0.217 | 0.364 | 0.15 | DUT | complex4.pdb.gz | 202,203,321,322 |
| 5 | 0.01 | 1tfwB | 0.377 | 3.33 | 0.124 | 0.424 | 0.11 | ATP | complex5.pdb.gz | 214,247,320 |
| 6 | 0.01 | 1ueuA | 0.246 | 7.70 | 0.041 | 0.402 | 0.14 | CTP | complex6.pdb.gz | 40,193,238 |
| 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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