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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 | 0.04 | 1ntzC | 0.500 | 4.55 | 0.051 | 0.873 | 0.14 | HEM | complex1.pdb.gz | 33,34,42,43 |
| 2 | 0.01 | 3cwbP | 0.497 | 4.58 | 0.052 | 0.873 | 0.35 | HEM | complex2.pdb.gz | 27,30,31,34,35,37,38,56,57 |
| 3 | 0.01 | 3cwbC | 0.498 | 4.54 | 0.034 | 0.873 | 0.32 | ICX | complex3.pdb.gz | 30,33,37,53 |
| 4 | 0.01 | 1be3C | 0.500 | 4.59 | 0.034 | 0.881 | 0.26 | HEM | complex4.pdb.gz | 30,33,44,51,52 |
| 5 | 0.01 | 3l73C | 0.535 | 4.19 | 0.059 | 0.881 | 0.16 | JZZ | complex5.pdb.gz | 30,34,37 |
| 6 | 0.01 | 3h1jC | 0.549 | 4.03 | 0.050 | 0.881 | 0.20 | SMA | complex6.pdb.gz | 13,29,32,33,95,98 |
| 7 | 0.01 | 1bgyC | 0.538 | 4.04 | 0.042 | 0.873 | 0.24 | HEM | complex7.pdb.gz | 7,46,52,55 |
| 8 | 0.01 | 3l74C | 0.499 | 4.62 | 0.051 | 0.881 | 0.20 | HEM | complex8.pdb.gz | 2,5,36,37,40,41,43 |
| 9 | 0.01 | 1sqxC | 0.502 | 4.50 | 0.034 | 0.873 | 0.20 | UQ2 | complex9.pdb.gz | 33,36,40,43,44 |
| 10 | 0.01 | 1sqqC | 0.502 | 4.43 | 0.017 | 0.865 | 0.18 | OST | complex10.pdb.gz | 17,20,21,26,29 |
| | 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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