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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 | 0.90 | 3kcfE | 0.640 | 1.19 | 0.876 | 0.653 | 1.86 | JZO | complex1.pdb.gz | 213,232,234,247,251,262,264,280,282,284,285,339,340,342,353 |
| 2 | 0.82 | 2x7oA | 0.637 | 1.35 | 0.873 | 0.653 | 1.84 | ZOP | complex2.pdb.gz | 213,214,221,232,234,247,262,280,282,283,285,286,287,288,292,296,342 |
| 3 | 0.69 | 3my0X | 0.496 | 1.43 | 0.665 | 0.509 | 1.69 | LDN | complex3.pdb.gz | 232,234,283,285,286,287,288,292,339,340,342,352,353 |
| 4 | 0.66 | 3h9rA | 0.599 | 1.56 | 0.654 | 0.616 | 1.80 | TAK | complex4.pdb.gz | 211,213,232,234,262,282,283,284,285,286,288,342 |
| 5 | 0.59 | 3g2fA | 0.566 | 1.76 | 0.369 | 0.588 | 1.59 | ADP | complex5.pdb.gz | 213,214,215,216,217,218,219,221,232,234,282,283,285,289,339,340,342,353 |
| 6 | 0.40 | 1b6c1 | 0.621 | 1.81 | 0.883 | 0.645 | 1.37 | III | complex6.pdb.gz | 196,197,198,200,201,202,244,245,248,249,252,253,267,269 |
| 7 | 0.24 | 3kfaA | 0.469 | 2.82 | 0.223 | 0.509 | 1.11 | B91 | complex7.pdb.gz | 213,221,232,233,234,243,247,250,251,261,262,280,282,283,284,285,286,288,331,333,342,352,353 |
| 8 | 0.22 | 3dk6B | 0.466 | 2.39 | 0.236 | 0.499 | 0.93 | SX7 | complex8.pdb.gz | 232,282,283,284,285,288,342 |
| 9 | 0.20 | 3hmiA | 0.477 | 2.47 | 0.212 | 0.515 | 1.18 | DKI | complex9.pdb.gz | 213,214,221,283,284,285,288,340,342,352 |
| 10 | 0.19 | 1oplB | 0.477 | 2.56 | 0.182 | 0.515 | 1.16 | P16 | complex10.pdb.gz | 221,232,234,247,251,280,282,283,285,288,342,352,354 |
| 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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