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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 | 1bxrA | 0.371 | 8.31 | 0.052 | 0.643 | 0.12 | ANP | complex1.pdb.gz | 135,153,154,156,163 |
| 2 | 0.01 | 1ce8E | 0.359 | 8.27 | 0.045 | 0.615 | 0.17 | IMP | complex2.pdb.gz | 51,84,88,89 |
| 3 | 0.01 | 1u6hA | 0.192 | 5.38 | 0.044 | 0.253 | 0.11 | III | complex3.pdb.gz | 58,59,60,62,180,183 |
| 4 | 0.01 | 1a9xA | 0.351 | 8.17 | 0.055 | 0.597 | 0.18 | ADP | complex4.pdb.gz | 82,84,87,139,140,141 |
| 5 | 0.01 | 2gwwA | 0.199 | 5.38 | 0.048 | 0.262 | 0.16 | III | complex5.pdb.gz | 71,72,75,78,79,82 |
| 6 | 0.01 | 3rf3A | 0.197 | 5.38 | 0.069 | 0.260 | 0.13 | III | complex6.pdb.gz | 52,53,54,57,76,107 |
| 7 | 0.01 | 1zvzA | 0.197 | 5.63 | 0.064 | 0.262 | 0.12 | III | complex7.pdb.gz | 75,78,79 |
| 8 | 0.01 | 1m6vC | 0.362 | 8.35 | 0.059 | 0.627 | 0.10 | ADP | complex8.pdb.gz | 145,146,147 |
| 9 | 0.01 | 1t01A | 0.198 | 5.65 | 0.066 | 0.265 | 0.11 | III | complex9.pdb.gz | 56,57,282 |
| 10 | 0.01 | 1jdbH | 0.360 | 8.36 | 0.049 | 0.624 | 0.27 | GLN | complex10.pdb.gz | 55,56,57 |
| 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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