(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: 8AN
File name: alatis_output_compound.sdf
|
Formula: C10H15N6O6P1 Compound mass: 346.2359 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 1.00
- Compound probability: 0.43
List of identified carbohydrate fragments:
-
C5H7N2O3
Fragment probability: 1.00
Fragment mass: 145.1362
Fragment main chain atoms: [5, 7, 10, 22, 4]
Fragment all atoms: [5, 29, 11, 7, 30, 17, 36, 10, 31, 16, 22, 4, 28, 1, 24, 25, 21]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| 8AN | 4V5C 2WDK 5MDV 4V5D 5DGE 4V5J 5TGA 5DGV 3CME 5MDY 5AA0 5MDW 2X9R 2WDG 2X9T 5DGF 5MDZ 2WDM 2WDH 3CMA |
| 3DA | 4G6S 4G6R 1S77 2P7F |
| A43 | 363D |
| 5AA | 3I55 1VQ7 1VQ6 1VQ5 1VQ4 |
| 3AN | 1HIY |
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.