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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 | 1nkxA | 0.180 | 7.08 | 0.025 | 0.302 | 0.18 | UUU | complex1.pdb.gz | 162,164,167,173 |
| 2 | 0.01 | 3rgyA | 0.176 | 5.87 | 0.008 | 0.259 | 0.12 | LP5 | complex2.pdb.gz | 201,203,204,206,207 |
| 3 | 0.01 | 3s90A | 0.217 | 4.25 | 0.024 | 0.266 | 0.10 | III | complex3.pdb.gz | 167,201,205,212 |
| 4 | 0.01 | 2ibfA | 0.200 | 4.64 | 0.038 | 0.259 | 0.17 | III | complex4.pdb.gz | 170,173,174,198 |
| 5 | 0.01 | 2gwwA | 0.208 | 3.53 | 0.018 | 0.241 | 0.15 | III | complex5.pdb.gz | 178,180,183,184,196 |
| 6 | 0.01 | 3ib0A | 0.173 | 6.65 | 0.038 | 0.278 | 0.15 | DIF | complex6.pdb.gz | 166,167,168,169 |
| 7 | 0.01 | 1b7zA | 0.331 | 6.88 | 0.048 | 0.539 | 0.15 | OXL | complex7.pdb.gz | 169,198,200 |
| 8 | 0.01 | 1biyA | 0.327 | 6.65 | 0.048 | 0.527 | 0.25 | CO3 | complex8.pdb.gz | 170,172,173 |
| 9 | 0.01 | 2dxyA | 0.180 | 7.10 | 0.025 | 0.302 | 0.13 | UUU | complex9.pdb.gz | 164,165,174,183 |
| 10 | 0.01 | 3rf3A | 0.222 | 3.95 | 0.019 | 0.263 | 0.12 | III | complex10.pdb.gz | 173,174,177,178,202,205,206 |
| 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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