(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: GLK
File name: alatis_output_compound.sdf
|
Formula: C5H11N1O4 Compound mass: 149.14470000000006 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 0.77
- Compound probability: 1.00
List of identified carbohydrate fragments:
-
C5H9N1O4
Fragment probability: 0.77
Fragment mass: 149.14470000000003
Fragment main chain atoms: [4, 2, 1, 3, 5]
Fragment all atoms: [4, 7, 8, 19, 2, 13, 14, 1, 11, 12, 3, 15, 6, 5, 16, 9, 10, 20, 21]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| GLK | 2HAL |
| GAU | 4YA3 4YA5 4Y8S 4YA7 4YA2 4Y9Z 4YA0 4Y8T 4Y7W 2DXI 4Y8N 4Y6V 2CV1 |
| GLJ | 4HSR 1QR3 4HST 4GVU |
| GLU_LFOH | |
| SYM | 5CMM 5KUF 6JMV 1SD3 |
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.