(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: 00V
File name: alatis_output_compound.sdf
|
Formula: C7H16N2O3 Compound mass: 176.2129000000001 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 |
| 00V | |
| AHY | 2J9A |
| 12N | |
| AHH | 3MAT |
| B3K | 4OZA 5HI1 3C3G 5HFY 4KGR 5US3 5HG2 6E5J 4OZB 3HET 3C3F 3HEZ 3HEU 4OZC 4XNA 2OXJ 5I1P 2OXK 3HEW 3HEV |
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.