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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 | 2qkiA | 0.138 | 7.48 | 0.018 | 0.190 | 0.18 | III | complex1.pdb.gz | 118,120,121,122,123,174 |
| 2 | 0.01 | 1ob2A | 0.116 | 7.31 | 0.040 | 0.160 | 0.13 | GNP | complex2.pdb.gz | 120,121,122,123,124,195,196 |
| 3 | 0.01 | 2pdaA | 0.210 | 8.85 | 0.036 | 0.316 | 0.11 | TPP | complex3.pdb.gz | 122,171,172,173 |
| 4 | 0.01 | 1ob2A | 0.116 | 7.31 | 0.040 | 0.160 | 0.18 | SUC | complex4.pdb.gz | 120,122,123,174,194,198 |
| 5 | 0.01 | 2hcjB | 0.099 | 6.98 | 0.047 | 0.132 | 0.27 | GDP | complex5.pdb.gz | 123,125,126 |
| 6 | 0.01 | 1d8tA | 0.107 | 7.23 | 0.014 | 0.146 | 0.21 | III | complex6.pdb.gz | 122,123,124,167,168,169,170,171,172,173 |
| 7 | 0.01 | 1b0pA | 0.209 | 8.79 | 0.045 | 0.314 | 0.19 | SF4 | complex7.pdb.gz | 122,123,198 |
| 8 | 0.01 | 1ea0A | 0.165 | 9.61 | 0.028 | 0.265 | 0.12 | FMN | complex8.pdb.gz | 121,171,172 |
| 9 | 0.01 | 2uzaB | 0.201 | 8.83 | 0.032 | 0.302 | 0.23 | SF4 | complex9.pdb.gz | 121,122,196 |
| 10 | 0.01 | 1ea0A | 0.165 | 9.61 | 0.028 | 0.265 | 0.20 | OMT | complex10.pdb.gz | 121,122,173,174 |
| 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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