(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: GDN
File name: alatis_output_compound.sdf
|
Formula: C16H19N5O10S1 Compound mass: 473.41379999999987 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 |
| GDB | |
| GDN | 4ZBB 1HNC 1HNA 1XWK 1VF3 1GSQ 6F4F 1HNB 18GS 5GST |
| GTB | 2OAD 1GTI 5AGY 3O76 2QMC 2YCD 2OAC 1GLQ 1K0C 2VO4 |
| GSM | 2AB6 6GMO |
| LEE | 1GSS |
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.