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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 | 2yb9A | 0.366 | 7.30 | 0.040 | 0.600 | 0.12 | HA0 | complex1.pdb.gz | 147,256,259 |
| 2 | 0.01 | 1r1iA | 0.370 | 7.59 | 0.041 | 0.625 | 0.10 | TI1 | complex2.pdb.gz | 159,160,264 |
| 3 | 0.01 | 1ofdA | 0.388 | 7.84 | 0.055 | 0.680 | 0.13 | FMN | complex3.pdb.gz | 189,190,217,219,252 |
| 4 | 0.01 | 1llwA | 0.395 | 7.70 | 0.039 | 0.680 | 0.18 | FMN | complex4.pdb.gz | 185,250,251,252,265 |
| 5 | 0.01 | 2vdcA | 0.385 | 7.65 | 0.047 | 0.663 | 0.13 | FMN | complex5.pdb.gz | 161,218,219,220 |
| 6 | 0.01 | 1rkcA | 0.155 | 6.26 | 0.043 | 0.228 | 0.12 | III | complex6.pdb.gz | 142,145,146,149 |
| 7 | 0.01 | 1zw2A | 0.180 | 6.36 | 0.027 | 0.268 | 0.13 | III | complex7.pdb.gz | 139,145,157,265 |
| 8 | 0.01 | 1u6hA | 0.175 | 5.54 | 0.016 | 0.241 | 0.15 | III | complex8.pdb.gz | 145,149,152,245,247 |
| 9 | 0.01 | 1ydiA | 0.170 | 5.98 | 0.044 | 0.245 | 0.12 | III | complex9.pdb.gz | 148,149,152,245 |
| 10 | 0.01 | 2vdcA | 0.385 | 7.65 | 0.047 | 0.663 | 0.16 | OMT | complex10.pdb.gz | 162,163,219,220 |
| 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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