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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 | 2vdcA | 0.428 | 6.48 | 0.034 | 0.718 | 0.65 | F3S | complex1.pdb.gz | 112,113,114,115,116,157,160,161 |
| 2 | 0.01 | 1bglB | 0.397 | 6.41 | 0.047 | 0.673 | 0.43 | MG | complex2.pdb.gz | 159,161,197 |
| 3 | 0.01 | 1jyxB | 0.398 | 6.26 | 0.053 | 0.673 | 0.63 | NA | complex3.pdb.gz | 133,134,135,138 |
| 4 | 0.01 | 1lm1A | 0.428 | 6.65 | 0.050 | 0.740 | 0.69 | F3S | complex4.pdb.gz | 129,130,131,132,140,142,158,159 |
| 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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