(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: XXM
File name: alatis_output_compound.sdf
|
Formula: C5H10O5 Compound mass: 150.12950000000004 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 1.00
- Compound probability: 1.00
List of identified carbohydrate fragments:
-
C5H10O5
Fragment probability: 1.00
Fragment mass: 133.12220000000002
Fragment main chain atoms: [2, 10, 4, 3, 5]
Fragment all atoms: [2, 13, 14, 10, 4, 16, 8, 19, 3, 15, 7, 18, 5, 1, 11, 12, 6, 17, 9, 20]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| XXM | 5IBQ 5MUJ |
| BDR | 6O0Q 1NEM 1QXB 3KSM 1PBR 4H55 5TSQ |
| RUU | 4Q0Q 4Q0V 4QE1 4QE5 |
| 32O | 4QEH |
| FUB | 3WRG 5GLR 3WKX 5OCP 3WN0 5GLO 5GLQ 3D61 5Z5F 3D5Z 5Z5I 4N2R 5MUI |
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.