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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 | 0.01 | 1i1eA | 0.223 | 8.15 | 0.033 | 0.339 | 0.52 | DM2 | complex1.pdb.gz | 336,337,371,372,373,374 |
| 2 | 0.01 | 1f31A | 0.207 | 8.32 | 0.028 | 0.319 | 0.50 | UUU | complex2.pdb.gz | 301,302,321,322,350 |
| 3 | 0.01 | 2q1fA | 0.189 | 8.68 | 0.029 | 0.304 | 0.76 | CA | complex3.pdb.gz | 303,311,347 |
| 4 | 0.01 | 2npfB | 0.210 | 8.16 | 0.043 | 0.317 | 0.47 | GDP | complex4.pdb.gz | 51,52,53,54,55,56,57,72,73,74 |
| 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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