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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 | 0.01 | 1gjqA | 0.468 | 5.22 | 0.062 | 0.807 | 0.29 | HEC | complex1.pdb.gz | 72,73,74,76,102,103,117 |
| 2 | 0.01 | 2x2iD | 0.481 | 5.00 | 0.055 | 0.853 | 0.19 | QPS | complex2.pdb.gz | 73,89,116 |
| 3 | 0.01 | 1uuz0 | 0.467 | 3.86 | 0.056 | 0.687 | 0.29 | III | complex3.pdb.gz | 77,79,80,97,99 |
| 4 | 0.01 | 1hzvA | 0.422 | 5.05 | 0.008 | 0.727 | 0.22 | HEC | complex4.pdb.gz | 73,74,78,116,119,121 |
| 5 | 0.01 | 1n15A | 0.468 | 5.08 | 0.055 | 0.787 | 0.23 | HEC | complex5.pdb.gz | 96,98,99,100,101,103 |
| 6 | 0.01 | 1hzuA | 0.475 | 4.92 | 0.023 | 0.793 | 0.10 | DHE | complex6.pdb.gz | 96,121,123 |
| 7 | 0.01 | 3d61A | 0.478 | 4.76 | 0.047 | 0.813 | 0.22 | UUU | complex7.pdb.gz | 70,77,78 |
| 8 | 0.01 | 1bl9B | 0.438 | 4.64 | 0.017 | 0.707 | 0.23 | HEC | complex8.pdb.gz | 60,82,102 |
| 9 | 0.01 | 1nnoA | 0.472 | 5.09 | 0.023 | 0.807 | 0.26 | HEC | complex9.pdb.gz | 34,82,101,102,134 |
| 10 | 0.01 | 1kb0A | 0.489 | 5.34 | 0.042 | 0.900 | 0.14 | HEC | complex10.pdb.gz | 73,74,77,78,123,124,128 |
| | 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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