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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 | 0.17 | 3b99A | 0.630 | 2.80 | 0.087 | 0.958 | 0.12 | UUU | complex1.pdb.gz | 6,15,19,55,56,57,61 |
| 2 | 0.15 | 2dkkA | 0.603 | 2.81 | 0.072 | 0.917 | 0.15 | UUU | complex2.pdb.gz | 10,16,17,54 |
| 3 | 0.02 | 3b99A | 0.630 | 2.80 | 0.087 | 0.958 | 0.38 | U51 | complex3.pdb.gz | 54,55,57,58,61 |
| 4 | 0.01 | 2zqjA | 0.600 | 3.23 | 0.072 | 0.958 | 0.14 | HEM | complex4.pdb.gz | 12,16,17,19,20,57,58,61,62 |
| 5 | 0.01 | 3b99B | 0.533 | 3.54 | 0.101 | 0.958 | 0.20 | U51 | complex5.pdb.gz | 56,57,59 |
| 6 | 0.01 | 3b99B | 0.533 | 3.54 | 0.101 | 0.958 | 0.12 | UUU | complex6.pdb.gz | 44,52,54 |
| 7 | 0.01 | 2z3uA | 0.594 | 2.89 | 0.063 | 0.861 | 0.26 | CRR | complex7.pdb.gz | 57,58,61 |
| 8 | 0.01 | 2nz50 | 0.601 | 2.76 | 0.072 | 0.903 | 0.10 | III | complex8.pdb.gz | 51,52,54,56 |
| 9 | 0.01 | 2z3tD | 0.571 | 3.12 | 0.028 | 0.917 | 0.12 | UUU | complex9.pdb.gz | 49,53,54,56,57,58 |
| 10 | 0.01 | 3na1B | 0.599 | 2.93 | 0.045 | 0.931 | 0.17 | III | complex10.pdb.gz | 36,53,65 |
| 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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