(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: DP6
File name: alatis_output_compound.sdf
|
Formula: C6H14O10P2 Compound mass: 308.1164000000001 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 0.79
- Compound probability: 0.56
List of identified carbohydrate fragments:
-
C6H11O4
Fragment probability: 0.79
Fragment mass: 130.1414
Fragment main chain atoms: [3, 2, 6, 4, 5]
Fragment all atoms: [3, 24, 25, 15, 2, 22, 23, 6, 1, 19, 20, 21, 9, 29, 4, 26, 27, 5, 7, 8, 28]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| DP6 | 6N0Y 4DPW 6N0Z 5GME 5GMD 4DU7 6N10 2OI2 |
| FM0 | 4DPT 3QT7 3QT8 4DPU |
| 0CJ | 3UTD |
| PMV | 2PG9 6N0X 6MDF 3GON |
| P25 | 1T9D 1T9B |
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.