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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 | 1bxrC | 0.352 | 7.84 | 0.042 | 0.588 | 0.13 | ANP | complex1.pdb.gz | 464,465,475,487 |
| 2 | 0.01 | 1jdbE | 0.402 | 7.37 | 0.044 | 0.643 | 0.22 | GLN | complex2.pdb.gz | 430,431,434 |
| 3 | 0.01 | 1m6vC | 0.403 | 7.39 | 0.043 | 0.645 | 0.13 | ADP | complex3.pdb.gz | 350,351,352,354,355,523 |
| 4 | 0.01 | 1ce8A | 0.404 | 7.44 | 0.046 | 0.649 | 0.16 | IMP | complex4.pdb.gz | 431,432,433,473,474,487 |
| 5 | 0.01 | 2uvaI | 0.359 | 7.66 | 0.060 | 0.588 | 0.17 | FMN | complex5.pdb.gz | 33,373,434 |
| 6 | 0.01 | 1t36A | 0.404 | 7.52 | 0.050 | 0.656 | 0.15 | U | complex6.pdb.gz | 336,337,353,414,415 |
| 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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