(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: XFC
File name: alatis_output_compound.sdf
|
Formula: C10F1H13N3O8P1 Compound mass: 353.1972 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 1.00
- Compound probability: 0.39
List of identified carbohydrate fragments:
-
C5H7N1O3
Fragment probability: 1.00
Fragment mass: 129.1137
Fragment main chain atoms: [6, 7, 5, 22, 9]
Fragment all atoms: [6, 29, 7, 30, 16, 34, 5, 28, 3, 26, 27, 21, 22, 9, 31, 14]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| XFC | 5T2W |
| 1FC | 3UOB 6U17 6U15 |
| 5FC | 4QKK 1VE8 5ZAS 4R2D 5MVU 6GCE 4R2Q 4QC7 5Z3N 5YTD 5D9Y 5KL4 |
| CFZ | 3P4A 2M84 2M8A 2KWG 5SWM 3P4B 3AGV 3P4C 5DO4 3P4D |
| CFL | 2KP4 2M84 1FC8 2N89 3DD2 2LSC 6MU4 2M8A 5VOF 5VOE |
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.