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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 | 0.02 | 2rh1A | 0.533 | 4.00 | 0.101 | 0.650 | 0.26 | CAU | complex1.pdb.gz | 123,194,198 |
| 2 | 0.01 | 3qakA | 0.548 | 3.65 | 0.126 | 0.650 | 0.14 | UKA | complex2.pdb.gz | 346,349,350,353,356,357 |
| 3 | 0.01 | 3dqbA | 0.571 | 4.02 | 0.090 | 0.693 | 0.38 | III | complex3.pdb.gz | 157,198,202,205,313,321 |
| 4 | 0.01 | 2z73A | 0.536 | 4.42 | 0.094 | 0.671 | 0.25 | RET | complex4.pdb.gz | 122,123,198,199,317,321 |
| 5 | 0.01 | 2ksaA | 0.564 | 4.65 | 0.092 | 0.715 | 0.23 | III | complex5.pdb.gz | 135,227,228,229 |
| 6 | 0.01 | 3oaxA | 0.541 | 4.95 | 0.094 | 0.713 | 0.22 | RET | complex6.pdb.gz | 123,318,354 |
| 7 | 0.01 | 2ks9A | 0.564 | 4.65 | 0.092 | 0.715 | 0.20 | III | complex7.pdb.gz | 121,131,133,134,135 |
| 8 | 0.01 | 1l9hA | 0.534 | 4.92 | 0.095 | 0.701 | 0.19 | RET | complex8.pdb.gz | 153,157,158,161,162 |
| 9 | 0.01 | 3htbA | 0.169 | 5.10 | 0.022 | 0.231 | 0.28 | JZ4 | complex9.pdb.gz | 124,127,131,157 |
| 10 | 0.01 | 2rbnA | 0.169 | 4.90 | 0.027 | 0.226 | 0.22 | 264 | complex10.pdb.gz | 160,164,195 |
| 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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