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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 | 0.77 | 3ryhB | 0.871 | 1.26 | 0.329 | 0.890 | 1.58 | G2P | complex1.pdb.gz | 10,11,12,15,105,107,146,149,150,151,152,179,188,211,255,259 |
| 2 | 0.52 | 3n2gD | 0.859 | 1.32 | 0.330 | 0.880 | 1.54 | GDP | complex2.pdb.gz | 10,11,12,16,146,148,151,152,183,211,255,258,259 |
| 3 | 0.32 | 3e22C | 0.830 | 1.68 | 0.327 | 0.863 | 1.72 | MG | complex3.pdb.gz | 104,107,150,151 |
| 4 | 0.07 | 3e22B | 0.843 | 1.35 | 0.333 | 0.865 | 1.28 | TZT | complex4.pdb.gz | 11,15,80,183,184,253,254,255,256 |
| 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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