(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: RXM
File name: alatis_output_compound.sdf
|
Formula: C43H51N3O11 Compound mass: 785.8764999999975 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 |
| RXM | 6BEE |
| 3YI | 6BEF |
| 9LF | 5YSW |
| RFV | 4OIR 6BEB |
| RFP | 5UHC 6BRD 3AOB 5UHD 5UHB 5HV1 4KMU 2HW2 6CCV 5KOX 5UHG 1YNN 1SKX 5UAL 5UAC 3AOD 6BED 5UH6 5VQC 1I6V 5UAH |
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.