(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: LAI
File name: alatis_output_compound.sdf
|
Formula: C5H10O5 Compound mass: 150.12950000000004 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 1.00
- Compound probability: 1.00
List of identified carbohydrate fragments:
-
C5H10O5
Fragment probability: 1.00
Fragment mass: 150.12950000000004
Fragment main chain atoms: [1, 3, 5, 4, 2]
Fragment all atoms: [1, 11, 6, 3, 14, 8, 18, 5, 16, 10, 20, 4, 15, 9, 19, 2, 12, 13, 7, 17]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| LAI | 3LBC 4QDW |
| XLS | 6XIM 5NH8 5NH7 3MXG 9XIM 2BRP 5XIN 5NHE 5NHD 2QW5 8XIM 3XIS 4D5V 5NH9 4XIS 1XIC 8XIA |
| RB5 | 6NCH 6NCI 3PH3 |
| ROR | 3WW1 4Q0U |
| D8T | 3SBF |
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.