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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 | 0.01 | 1vs82 | 0.077 | 4.35 | 0.053 | 0.094 | 0.48 | III | complex1.pdb.gz | 253,257,260,261,267 |
| 2 | 0.01 | 3rzdA | 0.249 | 8.28 | 0.034 | 0.430 | 0.46 | QNA | complex2.pdb.gz | 212,237,259 |
| 3 | 0.01 | 2hgu5 | 0.059 | 2.66 | 0.030 | 0.064 | 0.43 | III | complex3.pdb.gz | 246,251,252,255,258,259 |
| 4 | 0.01 | 2ja50 | 0.039 | 3.17 | 0.000 | 0.044 | 0.51 | III | complex4.pdb.gz | 214,220,221,222 |
| 5 | 0.01 | 1twaA | 0.251 | 7.97 | 0.021 | 0.425 | 0.44 | ZN | complex5.pdb.gz | 515,518,521 |
| 6 | 0.01 | 1l0l7 | 0.071 | 3.21 | 0.040 | 0.080 | 0.59 | III | complex6.pdb.gz | 219,220,221,224,262,263,268,269,270 |
| 7 | 0.01 | 1twhA | 0.220 | 7.81 | 0.025 | 0.356 | 0.65 | ZN | complex7.pdb.gz | 504,507,524 |
| 8 | 0.01 | 1za18 | 0.099 | 5.13 | 0.040 | 0.129 | 0.42 | III | complex8.pdb.gz | 212,213,214,237,252 |
| 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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