(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: FPA
File name: alatis_output_compound.sdf
|
Formula: Br1C2F2H1O2 Compound mass: 174.92890000000003 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 |
| FPA | 4EST |
| TFA | 5KI9 5LWU 4GLU 4NHC 3NVH 3KW9 3QTK 6MVZ 5WMJ 2R9S 4FVX 1W70 3GSH 3QGJ 3ODV 2I0U 1G6U 1ZZR 1N0Q 5VWV 4WPY 5V7Y 5LWT 5PAF 6FMF 2RA4 6C3F 5LWS 5OUL 6AY7 5OTY 3LO2 5OTZ |
| FAH | 3P3I 6QHU 6QHS 3KUW 6QI1 5SWN 4BAU 6QHP 4BB0 3B12 3KVI 6QI0 6HRJ 5ONL 3KV8 6QHX 6QHT 6QHV 3P2R 4B9E 6QHQ 6QHW 6GXD 6QHY 6QKW 6GXT 6QHZ 3R3V |
| BXA | 6ADC 4QH1 3R3X 3NN7 |
| BRM |
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.