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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 | 2fh8A | 0.286 | 9.15 | 0.043 | 0.450 | 0.22 | UUU | complex1.pdb.gz | 380,381,382 |
| 2 | 0.01 | 1xmvA | 0.161 | 5.20 | 0.060 | 0.193 | 0.14 | ADP | complex2.pdb.gz | 295,467,469,470 |
| 3 | 0.01 | 3cmvE | 0.270 | 9.37 | 0.039 | 0.431 | 0.26 | ANP | complex3.pdb.gz | 431,432,433 |
| 4 | 0.01 | 3cmvG | 0.262 | 9.40 | 0.039 | 0.421 | 0.11 | ANP | complex4.pdb.gz | 293,294,295,296,297 |
| 5 | 0.01 | 2fhcA | 0.286 | 9.52 | 0.041 | 0.460 | 0.12 | GLC | complex5.pdb.gz | 409,412,602 |
| 6 | 0.01 | 2vdcB | 0.283 | 9.38 | 0.033 | 0.454 | 0.15 | AKG | complex6.pdb.gz | 303,470,475 |
| 7 | 0.01 | 1ea0B | 0.256 | 9.46 | 0.043 | 0.412 | 0.15 | AKG | complex7.pdb.gz | 303,397,398,471 |
| 8 | 0.01 | 2vdcA | 0.281 | 9.16 | 0.033 | 0.440 | 0.15 | AKG | complex8.pdb.gz | 304,400,471 |
| 9 | 0.01 | 3sfzA | 0.243 | 8.91 | 0.028 | 0.372 | 0.20 | ADP | complex9.pdb.gz | 299,303,304,472,476 |
| 10 | 0.01 | 1ea0A | 0.257 | 9.50 | 0.037 | 0.415 | 0.24 | FMN | complex10.pdb.gz | 298,299,300,303,474,496 |
| 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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