(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: KHB
File name: alatis_output_compound.sdf
|
Formula: C10H20N2O4 Compound mass: 232.27600000000015 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 |
| KHB | 5ZGC 5Z94 5Z93 |
| BTK | 4YYJ 4V1C 6MIL 4YYG 5U2J 6MIQ 4YY6 3MUL 5B75 4YYM |
| PRK | 3PDH 4PK2 5B77 4I7D 3MUK 6MIO |
| HLY | 5OJO |
| SKH | 5OJO |
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.