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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 | 0.58 | 2i2fA | 0.958 | 0.71 | 0.272 | 0.970 | 1.36 | NAD | Download | 45,74,75,117,118,156,157,158,161 |
| 2 | 0.15 | 1z0sA | 0.807 | 2.27 | 0.184 | 0.898 | 1.44 | POP | Download | 9,44,46,47,70,71 |
| 3 | 0.05 | 1yt50 | 0.840 | 2.13 | 0.187 | 0.928 | 0.97 | III | Download | 123,126,127,145,158,160,161,180,183,213,215,258 |
| 4 | 0.05 | 1z0sA | 0.807 | 2.27 | 0.184 | 0.898 | 1.02 | ATP | Download | 126,127,128,145,180,182 |
| 5 | 0.04 | 2p1rA | 0.645 | 4.05 | 0.135 | 0.845 | 1.25 | NA | Download | 44,45,48,72,73,74,75 |
| 6 | 0.03 | 2qv7A | 0.681 | 3.56 | 0.116 | 0.857 | 0.84 | ADP | Download | 8,10,43,44,46,47,50,70 |
| 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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