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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 | 0.70 | 3nziA | 0.435 | 2.17 | 0.749 | 0.457 | 1.55 | III | complex1.pdb.gz | 191,301,302,303,304,305,321,322,323 |
| 2 | 0.30 | 3pv3D | 0.458 | 4.49 | 0.322 | 0.567 | 1.46 | III | complex2.pdb.gz | 172,173,174,191,302,303,305,321,322,323,324,325 |
| 3 | 0.02 | 2zfrH | 0.379 | 3.14 | 0.156 | 0.424 | 0.85 | III | complex3.pdb.gz | 152,153,181,182,240,241,242,243,253,254,255,257,271,311,312 |
| 4 | 0.02 | 3p70B | 0.379 | 3.15 | 0.160 | 0.424 | 0.93 | NA | complex4.pdb.gz | 177,178,187,188,306,307,308,319 |
| 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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