(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: 2IM
File name: alatis_output_compound.sdf
|
Formula: C5H10N2 Compound mass: 98.14590000000005 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 |
| 2IM | 2AS2 6B2L |
| D86 | 5MO2 5MOS |
| MRZ | 4X1N 4ZJ5 4X1S 5MNO 5MNN 4UE7 5F8X 4X0W 4ZHM 5F8T 5F8Z 6A8O 5MNP 4X1P 4ZJ4 4ZJ6 |
| 46W | 4Y4W |
| 03N |
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.