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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 | 1qdbA | 0.453 | 4.91 | 0.028 | 0.851 | 0.23 | HEM | complex1.pdb.gz | 5,6,59,77,79,80 |
| 2 | 0.01 | 2vz9A | 0.432 | 4.67 | 0.048 | 0.807 | 0.11 | NAP | complex2.pdb.gz | 44,45,46,47,53 |
| 3 | 0.01 | 3bnhA | 0.312 | 5.07 | 0.027 | 0.632 | 0.12 | UUU | complex3.pdb.gz | 36,40,42,60,64,101,102 |
| 4 | 0.01 | 2p2bA | 0.438 | 4.95 | 0.020 | 0.781 | 0.12 | COA | complex4.pdb.gz | 32,45,48,50 |
| 5 | 0.01 | 1qdbB | 0.451 | 4.91 | 0.019 | 0.860 | 0.24 | HEM | complex5.pdb.gz | 7,32,58,77,78 |
| 6 | 0.01 | 1qdbB | 0.451 | 4.91 | 0.019 | 0.860 | 0.27 | HEM | complex6.pdb.gz | 7,39,55,58,59 |
| 7 | 0.01 | 1qdbA | 0.453 | 4.91 | 0.028 | 0.851 | 0.16 | HEM | complex7.pdb.gz | 49,51,72,73,101,103,104 |
| 8 | 0.01 | 1fs7A | 0.324 | 4.88 | 0.053 | 0.632 | 0.12 | HEM | complex8.pdb.gz | 5,48,49,73,102,104 |
| 9 | 0.01 | 3bngA | 0.311 | 4.92 | 0.028 | 0.614 | 0.12 | HEM | complex9.pdb.gz | 49,56,57,80,81 |
| 10 | 0.01 | 3bnhA | 0.312 | 5.07 | 0.027 | 0.632 | 0.20 | UUU | complex10.pdb.gz | 49,54,55,58,59,104,105 |
| 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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