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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 | 0.04 | 2adcA | 0.447 | 3.97 | 0.135 | 0.592 | 0.90 | RQA | complex1.pdb.gz | 27,29,58,61,65,95,99,100,101 |
| 2 | 0.02 | 2qfjA | 0.451 | 3.01 | 0.113 | 0.536 | 0.56 | QNA | complex2.pdb.gz | 29,62,64,95,96 |
| 3 | 0.01 | 3tuvA | 0.434 | 4.88 | 0.052 | 0.689 | 0.49 | ATP | complex3.pdb.gz | 64,78,81,84 |
| 4 | 0.01 | 3e4aA | 0.456 | 4.73 | 0.031 | 0.699 | 0.49 | III | complex4.pdb.gz | 30,36,54 |
| 5 | 0.01 | 3l76A | 0.447 | 4.99 | 0.022 | 0.699 | 0.41 | LYS | complex5.pdb.gz | 31,39,40,41,66 |
| 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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