(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: AES
File name: alatis_output_compound.sdf
|
Formula: C8F1H10N1O2S1 Compound mass: 203.23350000000008 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 |
| AES | 3N33 2PFE 2B4R 5DAC 3B2Q 2AJC 3SSA 5MRS 4DQJ 4F8O 4DQ5 2B4T 2OUA 3PRO 5XYA 3TIV 3TGW 3EIU 4F8L |
| ZYX | 2NNG |
| 2AB | 3PRO 2OUA 2PFE 2AJC |
| M25 | 2NNS 2NMX |
| BBS | 1EOL 1EOJ |
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.