(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: GP1
File name: alatis_output_compound.sdf
|
Formula: C6H14N1O8P1 Compound mass: 259.15050000000014 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 1.00
- Compound probability: 0.75
List of identified carbohydrate fragments:
-
C6H10N1O5
Fragment probability: 1.00
Fragment mass: 178.16270000000006
Fragment main chain atoms: [14, 6, 3, 5, 4, 2, 10, 22, 28, 9, 21, 27]
Fragment all atoms: [14, 6, 23, 15, 3, 20, 7, 5, 4, 2, 19, 1, 17, 18, 8, 26, 10, 22, 28, 9, 21, 27]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| L1L | 5FVN 5NUR |
| GP1 | 1UJW 6C5K 6C5J 1Q9W 4ODT 3ST8 2OI6 1FCP 4ODV 2FCP 4FCE 6C5H |
| 6MN | 3G96 |
| GLP | 3CXQ 3B4A 4ZSI 3B4B 2RI1 2VHL 3G8T 2NZ4 1MOQ 4U0V 4TKJ 2Z75 2VF5 3G9C 3B4C |
| 4R1 | 4ZSI |
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.