(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: NFU
File name: alatis_output_compound.sdf
|
Formula: C3Fe1H1N2Ni1O1 Compound mass: 195.59120000000001 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 0.38
- Compound probability: 0.50
List of identified carbohydrate fragments:
-
C2H1O1
Fragment probability: 0.38
Fragment mass: 136.8978
Fragment main chain atoms: [5, 8, 3]
Fragment all atoms: [5, 7, 6, 8, 3]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| NFU | 5AA5 4C3O 5ODI 5XLE 5XVB 5ODQ 5ODH 5ODR 3RGW 6QGR 5ODC 4OMF 6QII 5Y4N 6CFW |
| NFR | 1WUL |
| FC6 | 5C9M 6I3J 1UX9 6I3K 1VZH 6N1O 1UT0 5DJQ 1VZG 4B3W 3MK7 5DF5 1URY 1URV 5C0Z 3CRW |
| NFO | 1WUK 1WUJ |
| NFB |
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.