|
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 | 0.06 | 1nlyB | 0.423 | 3.58 | 0.104 | 0.878 | 0.12 | UUU | complex1.pdb.gz | 19,20,22,23,24,25,26 |
| 2 | 0.01 | 1ny6I | 0.353 | 3.63 | 0.083 | 0.816 | 0.16 | ADP | complex2.pdb.gz | 25,26,27 |
| 3 | 0.01 | 1ny6G | 0.366 | 3.86 | 0.085 | 0.816 | 0.17 | ADP | complex3.pdb.gz | 13,14,16 |
| 4 | 0.01 | 1g6oB | 0.417 | 3.58 | 0.083 | 0.857 | 0.13 | ADP | complex4.pdb.gz | 26,27,28,29,30 |
| 5 | 0.01 | 1it8A | 0.375 | 3.92 | 0.136 | 0.857 | 0.14 | PQ0 | complex5.pdb.gz | 26,29,31,37 |
| 6 | 0.01 | 1opxB | 0.420 | 3.50 | 0.104 | 0.857 | 0.29 | SO4 | complex6.pdb.gz | 10,25,26 |
| 7 | 0.01 | 1ny6A | 0.395 | 3.80 | 0.064 | 0.837 | 0.17 | ADP | complex7.pdb.gz | 13,14,15,25 |
| 8 | 0.01 | 2cjzA | 0.293 | 3.91 | 0.114 | 0.714 | 0.20 | PTR | complex8.pdb.gz | 23,24,25,26 |
| 9 | 0.01 | 2vpwA | 0.386 | 3.59 | 0.000 | 0.816 | 0.39 | SF4 | complex9.pdb.gz | 12,13,29,30,40,41 |
| 10 | 0.01 | 1ny6C | 0.394 | 3.73 | 0.064 | 0.837 | 0.20 | ADP | complex10.pdb.gz | 12,13,14,15,16,48 |
| 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. |
|