|
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 | 0.07 | 2rqcA | 0.684 | 2.12 | 0.160 | 0.789 | 1.04 | QNA | complex1.pdb.gz | 20,22,24,28,47,48,49,51,52,54,57,60,62,64,66,90,92,94,95 |
| 2 | 0.05 | 2kg0A | 0.664 | 1.73 | 0.209 | 0.771 | 1.06 | RQA | complex2.pdb.gz | 24,25,26,28,58,59,81,82,87,88,89,90,92 |
| 3 | 0.05 | 1urnB | 0.656 | 2.63 | 0.124 | 0.789 | 0.96 | RQA | complex3.pdb.gz | 22,24,25,28,49,51,53,60,61,62,64,87,92,93,94,95,96 |
| 4 | 0.05 | 1oo01 | 0.709 | 1.60 | 0.216 | 0.798 | 1.13 | III | complex4.pdb.gz | 20,22,47,49,51,54,55,60,62,64,66,92,93,94,95,96 |
| 5 | 0.05 | 3b4d0 | 0.617 | 1.87 | 0.247 | 0.697 | 1.13 | III | complex5.pdb.gz | 28,29,31,32,33,36,45,46,47,48,49,50,51 |
| 6 | 0.04 | 1h2v1 | 0.736 | 1.83 | 0.169 | 0.817 | 1.26 | III | complex6.pdb.gz | 29,32,33,34,36,37,38,41,68,78,79,80,82,83,85,86 |
| 7 | 0.04 | 1pgzA | 0.702 | 2.57 | 0.206 | 0.807 | 0.98 | UUU | complex7.pdb.gz | 20,22,24,25,47,49,51,60,61,62,64,87,90,92,93,94,95 |
| 8 | 0.04 | 1a9n1 | 0.652 | 2.32 | 0.200 | 0.752 | 1.21 | III | complex8.pdb.gz | 33,34,36,37,38,40,41,43,44,47,82,83,84,85,86 |
| 9 | 0.04 | 1u1pA | 0.703 | 2.57 | 0.206 | 0.807 | 0.81 | UUU | complex9.pdb.gz | 20,22,24,25,47,49,51,60,62,64 |
| 10 | 0.04 | 2xb2D | 0.696 | 1.63 | 0.176 | 0.780 | 1.11 | III | complex10.pdb.gz | 53,55,56,58,59 |
| | 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. |
|