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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 | 1a9xA | 0.319 | 7.08 | 0.047 | 0.538 | 0.18 | ORN | complex1.pdb.gz | 78,80,340 |
| 2 | 0.01 | 1c30A | 0.307 | 7.23 | 0.032 | 0.528 | 0.19 | ORN | complex2.pdb.gz | 49,51,333 |
| 3 | 0.01 | 2v0gA | 0.333 | 6.92 | 0.056 | 0.560 | 0.17 | LEU | complex3.pdb.gz | 49,50,52 |
| 4 | 0.01 | 1jdbH | 0.322 | 7.15 | 0.055 | 0.555 | 0.37 | GLN | complex4.pdb.gz | 52,53,54,333 |
| 5 | 0.01 | 1a9xA | 0.319 | 7.08 | 0.047 | 0.538 | 0.12 | ADP | complex5.pdb.gz | 84,88,183,184 |
| 6 | 0.01 | 1a9x3 | 0.324 | 7.35 | 0.051 | 0.568 | 0.31 | III | complex6.pdb.gz | 48,49,82,84,85,87,109 |
| 7 | 0.01 | 1a9xE | 0.310 | 7.26 | 0.028 | 0.536 | 0.18 | ORN | complex7.pdb.gz | 48,49,51 |
| 8 | 0.01 | 1a9xG | 0.286 | 7.32 | 0.044 | 0.499 | 0.19 | ADP | complex8.pdb.gz | 49,50,51 |
| 9 | 0.01 | 1bxrC | 0.330 | 7.11 | 0.044 | 0.560 | 0.10 | ANP | complex9.pdb.gz | 49,51,81,82,171,172,173,174 |
| 10 | 0.01 | 1a9x2 | 0.324 | 7.35 | 0.051 | 0.568 | 0.24 | III | complex10.pdb.gz | 47,85,86 |
| 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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