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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 | 0.13 | 2rqcA | 0.669 | 2.12 | 0.242 | 0.771 | 1.10 | QNA | complex1.pdb.gz | 22,24,26,30,49,50,51,53,54,56,58,60,62,87,89,91,92 |
| 2 | 0.10 | 2g4bA | 0.639 | 2.18 | 0.170 | 0.743 | 0.87 | RQA | complex2.pdb.gz | 23,25,56,57,60 |
| 3 | 0.04 | 2fy1A | 0.680 | 2.30 | 0.209 | 0.819 | 1.00 | RQA | complex3.pdb.gz | 22,24,26,27,30,51,53,57,58,60,87,89,90,91,92 |
| 4 | 0.04 | 1p272 | 0.698 | 2.23 | 0.190 | 0.790 | 1.01 | III | complex4.pdb.gz | 22,24,49,51,53,56,57,58,62,89,92,93 |
| 5 | 0.04 | 2f9j0 | 0.718 | 2.54 | 0.196 | 0.848 | 0.86 | III | complex5.pdb.gz | 21,22,34,37,48,49,50,51,52,53,54,55,58,60,65,66,91 |
| 6 | 0.04 | 3b4d0 | 0.627 | 1.46 | 0.189 | 0.695 | 0.98 | III | complex6.pdb.gz | 30,31,33,34,35,38,47,48,49,50,51,52,53,54,55 |
| 7 | 0.04 | 1a9n1 | 0.681 | 1.74 | 0.126 | 0.762 | 1.21 | III | complex7.pdb.gz | 35,36,38,39,40,42,43,45,46,49,79,80,81,82,83 |
| 8 | 0.03 | 1pgzA | 0.658 | 2.30 | 0.137 | 0.819 | 0.80 | UUU | complex8.pdb.gz | 22,24,26,27,49,50,52,56,57,58,60,84,87,89,90,91,92,94 |
| 9 | 0.03 | 1o0pA | 0.657 | 2.37 | 0.105 | 0.800 | 0.93 | III | complex9.pdb.gz | 28,35,36,39,40,76,78,79,80,81,86 |
| 10 | 0.02 | 2kfyA | 0.625 | 2.73 | 0.044 | 0.800 | 0.89 | RQA | complex10.pdb.gz | 24,26,27,28,29,30,55,56,77,78,84,85,86,87,88,89 |
| 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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