(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: MPN
File name: alatis_output_compound.sdf
|
Formula: C10H12N5O6P1S2 Compound mass: 393.3355 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 1.00
- Compound probability: 0.42
List of identified carbohydrate fragments:
-
C6H5N2O2
Fragment probability: 1.00
Fragment mass: 139.13170000000002
Fragment main chain atoms: [5, 6, 3, 9, 21, 2]
Fragment all atoms: [5, 6, 3, 28, 12, 9, 29, 13, 21, 2, 27, 1, 25, 26, 20]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| MPN | 2W54 1JRO 2W3R 2W55 1JRP 2W3S |
| 8CS | 4PYD 2QIE |
| P7G | 6MTE 6EK0 6MTB 6MTD 6MTC |
| E7G | 6EK0 6MTB 6MTC 6MTE 6MTD |
| 2MD | 1TMO 1H0H 2IV2 |
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.