(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: 210
File name: alatis_output_compound.sdf
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Formula: C3H11N1O7P2 Compound mass: 235.0691000000001 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 |
| 210 | 5ERO 4NKF 4OGU 3SDR 5ERM 2F89 4KPJ |
| 212 | 5DZ2 |
| AHD | 6GGJ 1YHM 4KQU 2F92 3SDT |
| 911 | 3SDV |
| BFQ | 4UMJ 6R4V 6O9P 2F94 |
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.