(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: TB6
File name: alatis_output_compound.sdf
|
Formula: C3H9O4P1 Compound mass: 140.07460000000006 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 |
| S0H | 5U55 1ZZ8 5U57 1ZZB 1ZZ7 3SCF |
| TB6 | 5U58 3SCH 3SCG 5U5D |
| GG6 | 2P7Q 2RL2 |
| 2HE | 6B9T 6B9R 3GBF 3OU7 |
| FFQ | 4J1W 3VCY 1UAE 4R7U 3LTH 3KR6 |
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.