(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: CXJ
File name: alatis_output_compound.sdf
|
Formula: C8F2H6O3 Compound mass: 188.12800000000007 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 |
| CXJ | 6B7I |
| FLR | 3RR3 3R94 |
| DF0 | 4FM5 |
| FLP | 1CQE 4FOR 2AYL 5JVZ 3N8W 3PGH 3N8Z 1EQH 1R9O 4JTQ 1DVT |
| APG | 1MNS 1MRA 1DTN 1MDR |
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.