(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: RF5
File name: alatis_output_compound.sdf
|
Formula: C5F1H10O7P1 Compound mass: 232.1005000000001 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 1.00
- Compound probability: 0.64
List of identified carbohydrate fragments:
-
C5H8O4
Fragment probability: 1.00
Fragment mass: 132.11430000000001
Fragment main chain atoms: [4, 3, 5, 13, 2]
Fragment all atoms: [4, 19, 7, 21, 3, 18, 5, 20, 8, 22, 13, 2, 17, 1, 15, 16, 12]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| 50A | 3ROP |
| RF5 | 3DZF 3DZG 5UUH |
| 27C | 3ROK |
| 48Z | 5DFI 5DG0 3ROM |
| AAB | 2O7Z 2HSR 1G5E 2O82 5NNU 1A9J 4Z3A 2M44 1A9G 2M3Y 4UQM 4FNC 2HSS 2O7X 1MTL 1A9H 1MWI 1A9I 1SJL 1GJ0 2OYT 2SSP 5FF8 |
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 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.