(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: C6T
File name: alatis_output_compound.sdf
|
Formula: C11H20N3O12P3 Compound mass: 479.21 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 1.00
- Compound probability: 0.31
List of identified carbohydrate fragments:
-
C5H8N1O3
Fragment probability: 1.00
Fragment mass: 130.1216
Fragment main chain atoms: [2, 7, 8, 26, 9]
Fragment all atoms: [2, 33, 34, 7, 40, 15, 45, 8, 41, 4, 36, 37, 25, 26, 9, 42, 14]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| C6T | 4RT3 |
| N6T | 4RT2 |
| DUN | 4DK4 2CJE 1W2Y 4DKB |
| 1FZ | 4Q45 6M7U 4NXZ 4O5E 6M7O 4Q44 4P2H 4IR1 4MFF 4Z6F 4Z6E 5L1J 4PGQ 5DGA 4YN4 6E3V 5DGB 4Z6D 4R8U 4PGX |
| 0DT | 1FV8 5VY7 |
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.