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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 | 3ixpD | 0.547 | 3.83 | 0.102 | 0.825 | 0.23 | 834 | complex1.pdb.gz | 20,24,27,48,49,52,73 |
| 2 | 0.15 | 1r20D | 0.533 | 4.00 | 0.101 | 0.835 | 0.29 | HWG | complex2.pdb.gz | 23,26,30,53,61,64,65 |
| 3 | 0.14 | 3nhqB | 0.545 | 4.06 | 0.050 | 0.825 | 0.16 | BLA | complex3.pdb.gz | 17,21,22,31,53 |
| 4 | 0.14 | 2whfA | 0.508 | 4.20 | 0.100 | 0.874 | 0.31 | II4 | complex4.pdb.gz | 49,52,53 |
| 5 | 0.13 | 3czhB | 0.551 | 4.00 | 0.072 | 0.883 | 0.20 | HEM | complex5.pdb.gz | 22,23,26,27,30,52,65 |
| 6 | 0.02 | 1dgkN | 0.541 | 3.76 | 0.098 | 0.825 | 0.22 | ADP | complex6.pdb.gz | 27,28,30,31 |
| 7 | 0.02 | 2nztA | 0.541 | 3.51 | 0.104 | 0.835 | 0.16 | UUU | complex7.pdb.gz | 21,22,23,29,52,53 |
| 8 | 0.02 | 3ksaB | 0.585 | 3.83 | 0.093 | 0.922 | 0.18 | QNA | complex8.pdb.gz | 24,26,53 |
| 9 | 0.01 | 1qhaA | 0.540 | 3.53 | 0.106 | 0.806 | 0.18 | GLC | complex9.pdb.gz | 30,49,53,54 |
| 10 | 0.01 | 3c6gA | 0.549 | 4.06 | 0.071 | 0.883 | 0.14 | VD3 | complex10.pdb.gz | 23,26,51 |
| 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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