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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 | 1kv9A | 0.487 | 4.62 | 0.045 | 0.598 | 0.15 | HEM | complex1.pdb.gz | 67,87,114 |
| 2 | 0.01 | 1hj3A | 0.458 | 5.00 | 0.041 | 0.578 | 0.20 | HEC | complex2.pdb.gz | 52,111,141,142 |
| 3 | 0.01 | 3izaA | 0.512 | 4.99 | 0.033 | 0.641 | 0.11 | ATP | complex3.pdb.gz | 71,85,86,87,89,90 |
| 4 | 0.01 | 1aofB | 0.460 | 5.18 | 0.042 | 0.585 | 0.17 | HEM | complex4.pdb.gz | 52,85,86,119 |
| 5 | 0.01 | 1aofA | 0.459 | 5.20 | 0.042 | 0.585 | 0.19 | HEM | complex5.pdb.gz | 63,90,91,93 |
| 6 | 0.01 | 3cfsB | 0.482 | 4.56 | 0.050 | 0.584 | 0.19 | III | complex6.pdb.gz | 72,85,86 |
| 7 | 0.01 | 3sfzA | 0.519 | 5.85 | 0.061 | 0.700 | 0.12 | ADP | complex7.pdb.gz | 68,69,70,72,84,85,87 |
| 8 | 0.01 | 1gq1B | 0.458 | 5.02 | 0.038 | 0.578 | 0.14 | HEC | complex8.pdb.gz | 52,114,245 |
| 9 | 0.01 | 1dy7B | 0.458 | 4.95 | 0.043 | 0.576 | 0.20 | HEC | complex9.pdb.gz | 85,86,117 |
| 10 | 0.01 | 1hj3B | 0.458 | 4.96 | 0.039 | 0.576 | 0.20 | HEC | complex10.pdb.gz | 84,85,113,114,115,117 |
| 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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