(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: P5M
File name: alatis_output_compound.sdf
|
Formula: C16H13O7 Compound mass: 317.2697 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 0.00
- Compound probability: 0.00
List of identified carbohydrate fragments:
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| P5M | 4REN |
| DLM | 4REM |
| IRH | 6M8C |
| J8G | 6M8E |
| QUE | 1H1I 2MS6 3CF8 2N6C 2JJ2 3R82 5FLJ 6IJD 3BXX 4DFU 2C9Z 6B1D 5FLI 1E8W 3NVY 3VCQ 6AWS 3BPT 4MRA 4WNJ 5A4V 3LJ0 5AUW 5XG4 2UXH 2HCK 2O3P 4LMU 1GP6 6M89 3LM5 |
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.