(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: AE9
File name: alatis_output_compound.sdf
|
Formula: C2H5N3O1 Compound mass: 87.08040000000003 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 |
| AE9 | 2XR6 |
| ETA | 3L8L 2Y6N 1NG8 2Y5M 1BDW 1ALZ 1MIC 2LCN 1BYZ 1KQE 3ZQ8 2XDC 1GRM 1AV2 1NRM 1AL4 5MUG 4UAB 1NRU 4TME 1GMK 3ABS 6DDE 1C4D 1NT5 2LCO 1W5U 6JPA 3ABO 6JP5 2IZQ 6DDF 5MUE 1JO3 1MAG 5GJV 1JO4 3AL1 6JPB 2XR5 1ALX 1NT6 5GJW 5YLE 6JP8 5KHY 1P4T 1JNO 1AII |
| FOP | 1ID8 |
| 2A3 | 3ANY |
| 2A1 | 3QGJ 3AO0 4XF5 3ABQ 4Y7Y 4QBY 4Y7X |
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.