(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: 39L
File name: alatis_output_compound.sdf
|
Formula: C9F1H11N2O6P2 Compound mass: 324.1390000000001 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 |
| 39L | 4QPF |
| M0N | 2E92 3B7L 2VF6 2EWG 3ICK |
| UNV | 3S4J |
| IDL | 3USD |
| RIS | 1RQJ 4RXD 2O1O 2QIS 1YQ7 4KQS 4N9U 4KPD 5CG5 4Q23 1YV5 4NG6 5CG6 4NKE 1YHL 4NUA |
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.