(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: YWO
File name: alatis_output_compound.sdf
|
Formula: C16H17N3O4 Compound mass: 315.3232 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 |
| YWO | 4UX6 |
| 1TN | 4OXY |
| P28 | 2ROY |
| NIY | 2H5U 2XAX 3ROL 4NDA 4BTZ 4B9R 4HHG 2XAY 2XAP 1SDA 2ADP 5AMC 2XAW 2XOF 3DIV 4HHW 2XAZ 1K4Q 2XAK 2XAV 4HIP 6CN8 |
| TYC | 5MGQ 4YKA 2OCI 2BF9 |
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.