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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 | 0.05 | 2ksbA | 0.907 | 2.06 | 0.163 | 0.968 | 0.17 | III | complex1.pdb.gz | 44,45,108 |
| 2 | 0.05 | 2x72A | 0.891 | 2.29 | 0.163 | 0.968 | 0.19 | RET | complex2.pdb.gz | 71,72,76 |
| 3 | 0.04 | 2ksaA | 0.907 | 2.06 | 0.163 | 0.968 | 0.39 | III | complex3.pdb.gz | 2,7,8,11 |
| 4 | 0.04 | 2rh1A | 0.791 | 2.78 | 0.211 | 0.878 | 0.35 | CAU | complex4.pdb.gz | 41,107,111,244,247,248 |
| 5 | 0.04 | 2ks9A | 0.907 | 2.06 | 0.163 | 0.968 | 0.20 | III | complex5.pdb.gz | 42,56,57 |
| 6 | 0.02 | 1ln6A | 0.580 | 5.17 | 0.125 | 0.859 | 0.10 | RET | complex6.pdb.gz | 36,41,42 |
| 7 | 0.01 | 3htbA | 0.224 | 4.54 | 0.052 | 0.302 | 0.23 | JZ4 | complex7.pdb.gz | 37,46,47,66 |
| 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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