(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: 83M
File name: alatis_output_compound.sdf
|
Formula: C34H54N6O7 Compound mass: 658.8263999999973 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 0.00
- Compound probability: 0.00
List of identified carbohydrate fragments:
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| 83M | 5UBK |
| X12 | 3D6G |
| 0Q4 | 1EBK 1DW6 1K2C 1K2B 1FFF 6O5X 1BAI 1K1T 1A94 1A8K 6O48 1K1U 1DAZ 1FG8 5KQZ 2AOE |
| GAH | 1XM1 |
| LGG | 2IPH |
Citation:
- Hesam Dashti, William M. Westler, Jonathan R. Wedell, Olga V. Demler, Hamid R. Eghbalnia, John L. Markley & Samia Mora, Probabilistic identification of saccharide moieties in biomolecules and their protein complexes, Scientific Data volume 7, Article number: 210 (2020), https://doi.org/10.1038/s41597-020-0547-y, https://www.nature.com/articles/s41597-020-0547-y
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- The NetwrokX library is used in the CTPIC source codes.
- The Open Babel software package is used in the CTPIC source codes.