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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 | 3actA | 0.297 | 8.38 | 0.025 | 0.539 | 0.14 | BGC | complex1.pdb.gz | 493,497,501 |
| 2 | 0.01 | 1a9xA | 0.351 | 7.20 | 0.049 | 0.555 | 0.16 | ORN | complex2.pdb.gz | 494,496,500 |
| 3 | 0.01 | 1a9xG | 0.303 | 7.52 | 0.044 | 0.500 | 0.23 | ADP | complex3.pdb.gz | 470,471,472,500,501,502 |
| 4 | 0.01 | 1a9xA | 0.351 | 7.20 | 0.049 | 0.555 | 0.17 | ADP | complex4.pdb.gz | 114,116,485,498,499,500 |
| 5 | 0.01 | 1t36A | 0.304 | 8.06 | 0.043 | 0.531 | 0.20 | U | complex5.pdb.gz | 132,455,497,498 |
| 6 | 0.01 | 2dqmA | 0.350 | 7.45 | 0.057 | 0.573 | 0.27 | BES | complex6.pdb.gz | 476,477,478,495 |
| 7 | 0.01 | 1ce8E | 0.352 | 7.18 | 0.044 | 0.555 | 0.26 | ADP | complex7.pdb.gz | 443,444,449,486 |
| 8 | 0.01 | 1c30A | 0.347 | 7.09 | 0.048 | 0.543 | 0.23 | ORN | complex8.pdb.gz | 134,486,493,498 |
| 9 | 0.01 | 1a9x3 | 0.304 | 8.08 | 0.045 | 0.535 | 0.18 | III | complex9.pdb.gz | 471,472,473,474,476,485 |
| 10 | 0.01 | 1bxrC | 0.343 | 7.37 | 0.036 | 0.553 | 0.12 | ANP | complex10.pdb.gz | 468,492,493,494,495,498,499,500 |
| 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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