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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 | 2uvaG | 0.274 | 8.75 | 0.043 | 0.456 | 0.10 | FMN | complex1.pdb.gz | 426,429,430,431,438,439,444,446 |
| 2 | 0.01 | 2amcB | 0.274 | 8.66 | 0.046 | 0.451 | 0.12 | TYR | complex2.pdb.gz | 435,436,437 |
| 3 | 0.01 | 1g9aA | 0.218 | 8.82 | 0.031 | 0.358 | 0.10 | BAB | complex3.pdb.gz | 427,439,440 |
| 4 | 0.01 | 3cmvC | 0.225 | 8.48 | 0.025 | 0.358 | 0.24 | ANP | complex4.pdb.gz | 424,425,426,427,428,429 |
| 5 | 0.01 | 1f31A | 0.255 | 7.98 | 0.030 | 0.390 | 0.18 | UUU | complex5.pdb.gz | 439,441,442 |
| 6 | 0.01 | 1xmsA | 0.119 | 6.36 | 0.041 | 0.162 | 0.14 | ANP | complex6.pdb.gz | 442,443,444,452 |
| 7 | 0.01 | 3cmvB | 0.222 | 8.65 | 0.040 | 0.363 | 0.28 | ANP | complex7.pdb.gz | 427,428,430,433 |
| 8 | 0.01 | 3cmxA | 0.264 | 8.76 | 0.023 | 0.436 | 0.16 | ALF | complex8.pdb.gz | 423,424,427,428 |
| 9 | 0.01 | 1xmvA | 0.118 | 6.66 | 0.070 | 0.165 | 0.11 | ADP | complex9.pdb.gz | 429,440,475 |
| 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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