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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 | 0.03 | 2uvcG | 0.945 | 2.22 | 0.068 | 0.990 | 0.19 | NAP | complex1.pdb.gz | 373,376,406,722,723 |
| 2 | 0.03 | 2uvcG | 0.945 | 2.22 | 0.068 | 0.990 | 0.14 | FMN | complex2.pdb.gz | 511,724,732 |
| 3 | 0.01 | 1g9aA | 0.324 | 8.56 | 0.047 | 0.521 | 0.12 | BAB | complex3.pdb.gz | 498,499,504,505,506 |
| 4 | 0.01 | 3cmvC | 0.315 | 8.32 | 0.031 | 0.498 | 0.29 | ANP | complex4.pdb.gz | 562,563,564,565,566,567,568 |
| 5 | 0.01 | 2vz9B | 0.339 | 6.89 | 0.042 | 0.464 | 0.12 | NAP | complex5.pdb.gz | 599,600,712,721,722 |
| 6 | 0.01 | 3cmvA | 0.321 | 8.27 | 0.039 | 0.504 | 0.26 | ANP | complex6.pdb.gz | 556,557,558,559,560,561,562 |
| 7 | 0.01 | 3cmvA | 0.321 | 8.27 | 0.039 | 0.504 | 0.18 | ANP | complex7.pdb.gz | 556,559,560,561,562 |
| 8 | 0.01 | 3cmvH | 0.322 | 8.23 | 0.036 | 0.504 | 0.23 | ANP | complex8.pdb.gz | 556,557,558,559,560 |
| 9 | 0.01 | 3cmvB | 0.321 | 8.24 | 0.041 | 0.503 | 0.23 | ANP | complex9.pdb.gz | 563,564,568,569 |
| 10 | 0.01 | 2vz9A | 0.375 | 6.75 | 0.042 | 0.511 | 0.11 | NAP | complex10.pdb.gz | 562,563,597,598 |
| 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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