(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: QUE
File name: alatis_output_compound.sdf
|
Formula: C15H10O7 Compound mass: 302.2353 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 |
| 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 |
| MYC | 5XI1 5HXC 2IOD 5YUN 2O63 4GQR 3C1T 6M88 3HBF 1E90 |
| MYU | 2O64 3V3V |
| FSE | 4RLT 3P0H 1XO2 |
| KMP | 3QWH 1H1M 4REL 5AUX 5AV2 2C1Z 4DET 6M8B 5AV3 |
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.