(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: F4Q
File name: alatis_output_compound.sdf
|
Formula: C13H16N5O7P1 Compound mass: 385.26859999999994 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 1.00
- Compound probability: 0.42
List of identified carbohydrate fragments:
-
C8H10O3
Fragment probability: 1.00
Fragment mass: 122.16399999999999
Fragment main chain atoms: [5, 13, 10, 12, 1]
Fragment all atoms: [5, 34, 2, 29, 30, 13, 25, 10, 36, 24, 12, 3, 31, 32, 6, 35, 20, 40, 1, 27, 28]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| F4Q | 6GN4 6GPI 6GMY |
| XGU | 2H9S |
| DG | |
| DGP | 1RND 2LRR 2DWN 6FM1 1Q9X 2FC0 2JAO 2WWG 6FJR 2QCA 1DEL 1TLC 1DEK 3SLM 6FKO 1Z4P |
| 0DG | 1R4D 5VY7 4WB3 1FV7 4WB2 |
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.