(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: ASA
File name: alatis_output_compound.sdf
|
Formula: C4H7N1O3 Compound mass: 117.10300000000004 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 0.61
- Compound probability: 1.00
List of identified carbohydrate fragments:
-
C4H5N1O3
Fragment probability: 0.61
Fragment mass: 117.103
Fragment main chain atoms: [2, 3, 1, 4]
Fragment all atoms: [2, 11, 6, 3, 12, 5, 1, 9, 10, 4, 7, 8, 15]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| ASP_LL_DHD2 | |
| ASP_LSN3_DHD2 | |
| ASA | 3R6G 1F9E 3S70 2QL5 1PYO 1ICE 3OD5 3R7N 4ZVP 1IAU 3H11 3R6L 1F1J 4PRY 3R5J 1IBC 1QTN 3R7B 3EDQ 4ZVQ |
| ASP_LL | |
| ASP_LSN3 |
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.