(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: 2BW
File name: alatis_output_compound.sdf
|
Formula: C8H20N1O4P1 Compound mass: 225.22170000000014 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 0.65
- Compound probability: 0.50
List of identified carbohydrate fragments:
-
C5H11O2
Fragment probability: 0.65
Fragment mass: 103.1392
Fragment main chain atoms: [3, 12, 8, 13, 4]
Fragment all atoms: [3, 21, 22, 1, 15, 16, 17, 12, 8, 31, 13, 4, 23, 24, 2, 18, 19, 20]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| 2BW | 4MR8 |
| FCN | 1LQP 4JH8 3UH9 4JD1 1UAE 4JH3 4JH6 3D41 4IR0 5V3D 4JH5 4JH4 2BNN 3QUO |
| 210 | 5ERO 4NKF 4OGU 3SDR 5ERM 2F89 4KPJ |
| 381 | 4MS1 |
| FFQ | 4J1W 3VCY 1UAE 4R7U 3LTH 3KR6 |
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.