(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: 7DF
File name: alatis_output_compound.sdf
|
Formula: C15H20O5 Compound mass: 280.3155000000001 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 |
| 7DF | 5L1Q |
| 8S0 | 5YAP |
| LGC | 5XXM 1E6X 2E40 2W39 4ZLG 3AZZ 3VIF 4ZOB 2VWG 3EQO 4YNU |
| 149 | 3CZJ 3I3B 3T0D 3T09 3T2Q 1JZ5 3MV0 3VDB |
| TAJ | 5EZY |
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.