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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 | 0.14 | 3c9mA | 0.869 | 2.44 | 0.144 | 0.958 | 0.31 | RET | complex1.pdb.gz | 35,68,71,107 |
| 2 | 0.10 | 2ksbA | 0.889 | 2.40 | 0.120 | 0.965 | 0.14 | III | complex2.pdb.gz | 69,72,105,147 |
| 3 | 0.10 | 2g87A | 0.874 | 2.51 | 0.140 | 0.965 | 0.34 | RET | complex3.pdb.gz | 35,65,68,69,107,111 |
| 4 | 0.06 | 2rh1A | 0.791 | 2.67 | 0.172 | 0.875 | 0.23 | CAU | complex4.pdb.gz | 39,110,114,243,244,247 |
| 5 | 0.04 | 3pdsA | 0.791 | 2.65 | 0.172 | 0.875 | 0.17 | ERC | complex5.pdb.gz | 61,65,66 |
| 6 | 0.04 | 2z73B | 0.847 | 2.60 | 0.157 | 0.932 | 0.26 | RET | complex6.pdb.gz | 32,36,39,40 |
| 7 | 0.03 | 2ksaA | 0.889 | 2.40 | 0.120 | 0.965 | 0.22 | III | complex7.pdb.gz | 61,117,118 |
| 8 | 0.03 | 2ks9A | 0.889 | 2.40 | 0.120 | 0.965 | 0.20 | III | complex8.pdb.gz | 40,43,44,140 |
| 9 | 0.02 | 1ln6A | 0.576 | 5.29 | 0.132 | 0.865 | 0.12 | RET | complex9.pdb.gz | 62,63,64,66,67 |
| 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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