(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: 9PR
File name: alatis_output_compound.sdf
|
Formula: C6H12N2O1 Compound mass: 128.17180000000005 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 |
| 9PR | 3N8M |
| LPD | 4GID 5ULO 6R57 6R4W 5LGP 6R58 6R5B 5LGR 6R4X 6I2G 6R59 5II0 6R51 6R5C 6R50 2H9E |
| PR9 | 2WRW |
| A0D | 3LZ6 |
| GIO | 1W1P |
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.