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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 | 1a9x2 | 0.338 | 7.08 | 0.056 | 0.587 | 0.25 | III | complex1.pdb.gz | 72,122,123,124 |
| 2 | 0.01 | 1jdbB | 0.357 | 6.59 | 0.037 | 0.582 | 0.27 | GLN | complex2.pdb.gz | 105,106,109,110 |
| 3 | 0.01 | 1a9xG | 0.354 | 6.95 | 0.041 | 0.601 | 0.19 | ADP | complex3.pdb.gz | 76,79,130 |
| 4 | 0.01 | 1ce8E | 0.328 | 6.86 | 0.039 | 0.544 | 0.16 | IMP | complex4.pdb.gz | 75,81,83 |
| 5 | 0.01 | 1ce8C | 0.342 | 7.57 | 0.031 | 0.630 | 0.14 | ADP | complex5.pdb.gz | 61,62,79,126 |
| 6 | 0.01 | 1jdbB | 0.357 | 6.59 | 0.037 | 0.582 | 0.21 | PO4 | complex6.pdb.gz | 72,122,124 |
| 7 | 0.01 | 1m6vC | 0.343 | 7.62 | 0.037 | 0.633 | 0.17 | ADP | complex7.pdb.gz | 64,65,69,114,116,117 |
| 8 | 0.01 | 1sijA | 0.378 | 6.83 | 0.054 | 0.635 | 0.10 | UUU | complex8.pdb.gz | 73,125,222,223,225,364,365 |
| 9 | 0.01 | 1jdbE | 0.344 | 7.59 | 0.031 | 0.635 | 0.39 | GLN | complex9.pdb.gz | 62,63,75,79 |
| 10 | 0.01 | 1bxrA | 0.347 | 7.15 | 0.050 | 0.593 | 0.10 | ANP | complex10.pdb.gz | 74,75,76,105,106,107,137,139 |
| 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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