(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: DP3
File name: alatis_output_compound.sdf
|
Formula: C8H21N7O2 Compound mass: 247.29720000000012 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 |
| DP3 | 1P6I 1P6M |
| 3HX | 2HX2 2HX3 |
| DP1 | 1ZZU 1Q2O 1P6K 1P6L 1P6H |
| NRG | 8NSE 1ED5 1K2R 3IDM 4UQR |
| DP9 | 1P6J 1ZZQ 1P6N 1ZZS 1ZZR 1ZZT |
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.