(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: MVL
File name: alatis_output_compound.sdf
|
Formula: C8H12N2O4 Compound mass: 200.1914000000001 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 |
| GIM | 4RE3 2CEQ 2CES 6EUG 3D4Z 5BX4 |
| MVL | 4CD5 2WZS 6FAR 6F92 2VMF 4RE2 6F90 6RQK 4AYQ 3D4Y 4CD8 |
| XIM | 1FHD |
| GI1 | 2J7D |
| GI3 | 2J7F |
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.