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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 | 2zwaB | 0.460 | 4.02 | 0.080 | 0.712 | 0.10 | SAH | complex1.pdb.gz | 10,11,20,21,22,23 |
| 2 | 0.01 | 1ez0D | 0.467 | 4.83 | 0.065 | 0.818 | 0.12 | NAP | complex2.pdb.gz | 3,8,9 |
| 3 | 0.01 | 2zw9A | 0.460 | 4.94 | 0.098 | 0.780 | 0.10 | SAM | complex3.pdb.gz | 22,62,63 |
| 4 | 0.01 | 3iwkB | 0.455 | 4.85 | 0.057 | 0.788 | 0.13 | NAD | complex4.pdb.gz | 5,6,17,20,23,24 |
| 5 | 0.01 | 1bi9C | 0.366 | 5.17 | 0.026 | 0.659 | 0.23 | NAD | complex5.pdb.gz | 3,24,25 |
| 6 | 0.01 | 2nwwA | 0.371 | 5.41 | 0.064 | 0.727 | 0.33 | TB1 | complex6.pdb.gz | 17,20,21,24 |
| 7 | 0.01 | 2j6lA | 0.455 | 4.99 | 0.048 | 0.811 | 0.10 | NAI | complex7.pdb.gz | 3,4,8,23,24 |
| 8 | 0.01 | 2jg7A | 0.457 | 4.92 | 0.074 | 0.803 | 0.11 | NAD | complex8.pdb.gz | 2,3,17,20,23,24 |
| 9 | 0.01 | 3pm5A | 0.407 | 5.41 | 0.017 | 0.818 | 0.13 | BYC | complex9.pdb.gz | 20,24,25,27,28,31 |
| 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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