(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: SDH
File name: alatis_output_compound.sdf
|
Formula: C10H16N5O9P1 Compound mass: 381.2353 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 1.00
- Compound probability: 0.36
List of identified carbohydrate fragments:
-
C5H8N1O3
Fragment probability: 1.00
Fragment mass: 130.1216
Fragment main chain atoms: [5, 24, 4, 3, 1]
Fragment all atoms: [5, 32, 15, 24, 4, 31, 2, 28, 29, 23, 3, 30, 16, 37, 1, 26, 27]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| SDH | 4PPX |
| G35 | 3NAE 3L8B |
| TDY | 2WQ7 2WQ6 |
| 64P | 2WB2 |
| TTD | 4A0A 4A08 6H68 1SL2 1SKS 3PZP 5ZCW 3MFI 5B24 3SI8 4A0B 6O6C 3MR3 3MR5 4A09 3MR4 6H67 3MR6 1SL1 |
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.