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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 | 0.53 | 1tp3A | 0.778 | 1.71 | 0.255 | 0.873 | 1.18 | III | complex1.pdb.gz | 21,22,23,24,25,26,39,72,79,80 |
| 2 | 0.18 | 2awuB | 0.784 | 1.16 | 0.267 | 0.843 | 1.32 | III | complex2.pdb.gz | 19,20,21,22,23,42,76 |
| 3 | 0.09 | 2kohA | 0.767 | 2.21 | 0.222 | 0.951 | 1.07 | III | complex3.pdb.gz | 21,22,23,24,25,26,27,39,42,59,72,73,76,80,83 |
| 4 | 0.06 | 2i0iA | 0.722 | 1.30 | 0.287 | 0.784 | 1.35 | III | complex4.pdb.gz | 17,18,44,45,46,49 |
| 5 | 0.06 | 2opgA | 0.825 | 1.40 | 0.269 | 0.902 | 1.08 | NA | complex5.pdb.gz | 35,36,58,59,67,68 |
| 6 | 0.06 | 2iwo0 | 0.768 | 1.27 | 0.267 | 0.843 | 1.29 | III | complex6.pdb.gz | 11,32,33,34,58,60,61,64,65,66,68,69,92,94,100 |
| 7 | 0.06 | 1pdr2 | 0.778 | 1.80 | 0.253 | 0.882 | 1.36 | III | complex7.pdb.gz | 14,15,44,46,49 |
| 8 | 0.06 | 1pdr0 | 0.778 | 1.80 | 0.253 | 0.882 | 1.19 | III | complex8.pdb.gz | 24,25,26,39,40,42,43,72,76 |
| 9 | 0.06 | 1n7f0 | 0.743 | 1.67 | 0.256 | 0.843 | 1.28 | III | complex9.pdb.gz | 8,9,10,11,12,13,17,49,50,51,52,54,97 |
| 10 | 0.05 | 2h2b0 | 0.797 | 1.75 | 0.213 | 0.902 | 1.07 | III | complex10.pdb.gz | 20,21,22,23,24,25,26,27,31,37,39,40,72,79,99 |
| 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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