(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: STR
File name: alatis_output_compound.sdf
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Formula: C21H30O2 Compound mass: 314.4605 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 |
| STR | 6F88 4Y8W 4NKX 6F8C 1MRQ 2AA5 6GSD 4BB2 4FN9 1YA3 2HZQ 5A1P 4LTW 1A28 5A1R 4L1X 4R21 2AA6 1H60 4L1W 5LUR 3COT 4J6C 2ABA 5MLM 1W0F 2O5Y 1DBB 6HGK |
| ASD | 3CAS 4XO7 2VCV 2VCT 5JL9 4JBT 1EUP 3EQM 3NUV 5JL7 3IW1 3NHX 4QDC 3S79 3NBR 3UZZ 5JKV 5JL6 4AT2 1QYX 4KQ8 4QCK 1XF0 |
| K2B | 3SN5 2YOO 2X5W |
| 6KX | 5L4S |
| TES | 1I9J 2Q7L 5JKW 4J6D 5L94 2AM9 5OG9 3KDM 6HGL 2YLO 1J96 1AFS 3BUR 6A7J 2YLQ 2Q7J 3UZZ 1Q13 6MDQ 2YHD 4HLW 3ZQT 2Q7K 2Q7I 1VPO 1JTV 2YLP |
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
Disclaimer:
- The custom source code, developed using Python3 in the Linux environment. This work is copyrighted under the terms of GPL, and the results are released under CC0 1.0 Universal of the Open Science Framework. The web-service and the source codes are provided on an “as is” basis without warranty of any kind, either expressed or implied. Any usage of the web-server, or modification and application of the source codes are free for academic use when CTPIC publications are cited.
- The NetwrokX library is used in the CTPIC source codes.
- The Open Babel software package is used in the CTPIC source codes.