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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 | 0.68 | 1fdtA | 0.702 | 2.82 | 0.263 | 0.784 | 1.38 | NAP | complex1.pdb.gz | 62,63,64,65,66,67,68,85,86,87,112,113,114,115,144,145,146,147,193,194,208,212,238,239,241 |
| 2 | 0.34 | 1i5rA | 0.701 | 2.87 | 0.266 | 0.784 | 1.08 | HYC | complex2.pdb.gz | 62,64,65,87,112,113,114,115,144,145,146,147,148,195,196,197,200,202,208,239,245,277,280,281,284 |
| 3 | 0.28 | 1yxmB | 0.674 | 2.21 | 0.198 | 0.720 | 1.16 | ADE | complex3.pdb.gz | 86,87,113,114,146,167 |
| 4 | 0.05 | 1fds0 | 0.692 | 2.77 | 0.264 | 0.770 | 0.94 | III | complex4.pdb.gz | 117,153,154,156,158,165,169,170,174,176,177,181,200,201,202,203,204,206,209,210,213,214,217,218,220,221,222,224,225,227,228,229,313,314,316 |
| 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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