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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 | 0.74 | 3ak4A | 0.709 | 2.01 | 0.234 | 0.752 | 1.31 | NAD | complex1.pdb.gz | 48,50,51,52,53,72,73,99,100,101,127,128,129,175,176,177,202,206,232,233,235,237,239,242 |
| 2 | 0.04 | 2wdzD | 0.702 | 2.33 | 0.219 | 0.752 | 0.91 | 1SP | complex2.pdb.gz | 49,55,68,70 |
| 3 | 0.04 | 1vl80 | 0.716 | 2.18 | 0.205 | 0.758 | 0.94 | III | complex3.pdb.gz | 104,139,142,143,146,151,154,155,158,161,179,199,203,204,207,208,211,214,215,216,218,219,220 |
| 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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