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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 | 1jyxD | 0.359 | 6.93 | 0.035 | 0.568 | 0.13 | IPT | complex1.pdb.gz | 158,237,324 |
| 2 | 0.01 | 1kv3A | 0.250 | 5.69 | 0.040 | 0.346 | 0.26 | GDP | complex2.pdb.gz | 34,36,37,38,39 |
| 3 | 0.01 | 1c9iA | 0.174 | 6.48 | 0.048 | 0.270 | 0.17 | III | complex3.pdb.gz | 160,161,208 |
| 4 | 0.01 | 1ncg0 | 0.161 | 3.19 | 0.093 | 0.184 | 0.19 | III | complex4.pdb.gz | 34,35,37,115,136 |
| 5 | 0.01 | 1c9iB | 0.167 | 6.86 | 0.023 | 0.266 | 0.19 | III | complex5.pdb.gz | 158,161,162,208,210 |
| 6 | 0.01 | 2xzgA | 0.169 | 6.62 | 0.053 | 0.264 | 0.21 | VH1 | complex6.pdb.gz | 157,161,188,209 |
| 7 | 0.01 | 2omy1 | 0.171 | 2.92 | 0.089 | 0.192 | 0.21 | III | complex7.pdb.gz | 140,156,164,166,168,185,197 |
| 8 | 0.01 | 1jyxB | 0.358 | 6.99 | 0.032 | 0.570 | 0.12 | IPT | complex8.pdb.gz | 179,182,228 |
| 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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