(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: 54L
File name: alatis_output_compound.sdf
|
Formula: C5H6O2 Compound mass: 98.09970000000003 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 |
| 54L | 5CGH |
| F9D | 6CNU |
| LPH | 4WVS 4WJ5 6CNU |
| IVA | 1APV 1NLU 4EJK 3FV3 1YOO 2D64 1QS8 1APT 5LW1 2RMP 1LS5 1W6I 1WKR 3SM1 2QZX 1APW 1SME 5I70 2D5Y 2D63 1KDZ 1GA4 4EJD 1LYB 2ER0 1M43 1APU 3EMY 5N7Q 4ER2 4AUC 1KE1 1XDH 6APR 1IZE 6M9C 6M9F 4Y9W 2H6T 4TVG 1PSO 1UK9 3FNT |
| SMB | 1YA8 1UKA |
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.