(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: S6G
File name: alatis_output_compound.sdf
|
Formula: C10H14N5O6P1S1 Compound mass: 363.28630000000004 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 1.00
- Compound probability: 0.39
List of identified carbohydrate fragments:
-
C5H8N1O3
Fragment probability: 1.00
Fragment mass: 130.1216
Fragment main chain atoms: [6, 21, 5, 4, 1]
Fragment all atoms: [6, 31, 15, 21, 5, 30, 2, 26, 27, 20, 4, 29, 16, 35, 1, 24, 25]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| S6G | 1N17 6IYQ 1KB1 1KBM |
| A1P | 2C7P 2C7Q 2C7O 2C7R |
| 2PR | 2KV0 2IBT 2C7O 3SUQ 4HDU 3SUP 2C7Q 2IBS 3SUN 4IHX 3SQ2 1U1Y 1U1P 3SQ4 2C7P 3SUO 1U1R |
| SGT | 5WNX |
| 1AP | 6B1Q 3C29 211D 4HDV 1S1K 1D76 1VTY 210D 1ZAY |
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.