(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: NOY
File name: alatis_output_compound.sdf
|
Formula: C6H13N1O4 Compound mass: 163.17120000000008 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:
-
C6H12N1O4
Fragment probability: 1.00
Fragment mass: 163.17120000000006
Fragment main chain atoms: [3, 4, 5, 6, 7, 1]
Fragment all atoms: [3, 16, 2, 14, 15, 8, 21, 4, 17, 9, 22, 5, 18, 10, 23, 6, 19, 11, 24, 7, 1, 12, 13]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| NOZ | |
| MNM | 2VL4 5M03 2ALW 5LYR |
| NOY | 2J75 2V3G 3ZQ9 2VQU |
| MMN | 1XUZ |
| IFM | 4AD2 4ZOA 4IIC 4CD4 4CD7 3WH8 1OCN 1UP2 4D4D 4RE4 5H41 3QFY 4KTR 4V27 2G9V 2NSX 3GXF 1OCQ 1OIF 4UTF 4AD4 4CD6 |
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.