(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: AAB
File name: alatis_output_compound.sdf
|
Formula: C5H11O7P1 Compound mass: 214.11000000000007 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 1.00
- Compound probability: 0.69
List of identified carbohydrate fragments:
-
C5H9O4
Fragment probability: 1.00
Fragment mass: 133.12220000000002
Fragment main chain atoms: [3, 4, 12, 5, 1]
Fragment all atoms: [3, 18, 6, 21, 4, 19, 2, 16, 17, 11, 12, 5, 20, 7, 22, 1, 14, 15]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| ORP | 2HSK 5CL9 5CL8 4YIG 2O7Y 2O80 2M3P 2DP6 2M43 4Z7Z 5CL5 1G5D 2HSL 2O7W 1GIZ 6IOD 5CL4 5CL6 4Z3A 4Z47 1SSP 4SKN 5CYS 5CLA 4JGC 2DDG 5UUF 5UUG 4Z7B 5CL7 6AJO 3WAZ 1SJK 2DEM 4XEG |
| D1P | |
| B1P | |
| AAB | 2O7Z 2HSR 1G5E 2O82 5NNU 1A9J 4Z3A 2M44 1A9G 2M3Y 4UQM 4FNC 2HSS 2O7X 1MTL 1A9H 1MWI 1A9I 1SJL 1GJ0 2OYT 2SSP 5FF8 |
| X4A | 2HOU 2HPX |
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.