(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: PEA
File name: alatis_output_compound.sdf
|
Formula: C8H12N1 Compound mass: 122.18710000000007 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 |
| PEA | 1D6Y 1UTM 4OEK 4EST 1MHW 1D6U 1UTO 2HKM 1TNJ 5GI6 1D6Z |
| FRD | 2AOJ 2AOF 2AOH 2AOI |
| 1WE | 4LAR 4XP9 |
| PO0 | |
| GJZ | 3MDR |
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.