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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 | 0.28 | 1aar0 | 0.890 | 1.12 | 0.293 | 0.949 | 1.38 | III | complex1.pdb.gz | 10,11,46,51,52,53,72,74,75,76 |
| 2 | 0.22 | 3a9kA | 0.891 | 1.29 | 0.293 | 0.949 | 1.49 | III | complex2.pdb.gz | 10,44,46,51,72,74 |
| 3 | 0.11 | 2hd51 | 0.868 | 1.35 | 0.293 | 0.937 | 1.37 | III | complex3.pdb.gz | 4,6,8,9,11,12,14,15,16,18,35,44,47,50,51,53,55,64,66,67,68,69,70,72,73,74,75,76 |
| 4 | 0.11 | 1q0wB | 0.857 | 1.31 | 0.293 | 0.949 | 1.38 | III | complex4.pdb.gz | 10,44,46,47,48,51,53,66,72,73,74,75,76 |
| 5 | 0.07 | 2c7n1 | 0.878 | 0.77 | 0.301 | 0.924 | 1.44 | III | complex5.pdb.gz | 8,9,10,44,46,47,48,51,53,67,68,70,72,74,75,76,77 |
| 6 | 0.07 | 1wrd1 | 0.897 | 1.09 | 0.293 | 0.949 | 1.14 | III | complex6.pdb.gz | 10,44,46,51,52,72,74,77 |
| 7 | 0.05 | 2d071 | 0.835 | 1.24 | 0.160 | 0.949 | 1.27 | III | complex7.pdb.gz | 2,11,12,13,14,15,16,17,18,19,27,34,35,36 |
| 8 | 0.04 | 2rpqA | 0.816 | 1.77 | 0.156 | 0.975 | 0.99 | III | complex8.pdb.gz | 2,15,16,17,18,19,20,22,23,24,27,28,31,32,35 |
| 9 | 0.04 | 2emtA | 0.799 | 1.93 | 0.103 | 0.987 | 0.94 | III | complex9.pdb.gz | 12,13,14,15,16,17,18,20,31,35 |
| 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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