(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: 5OH
File name: alatis_output_compound.sdf
|
Formula: C6H12N4O3 Compound mass: 188.18400000000008 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 0.00
- Compound probability: 0.00
List of identified carbohydrate fragments:
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| 5OH | 4V9J 4KDA 4KD8 4V7L 3KNH 4KJ8 4KIY 4V9O 3SFS 4KBV 4V9K 4V85 3J5X 4KBT 4V7D 4V9P 4KJ0 4V9L 3KNJ 4V7C 4KJA 4KJ2 4KD0 4KJ4 4KJ6 4KCY 3J5T |
| MYN | 5V93 3KNN 4V7M 3KNL |
| C67 | 6AZL |
| ARV | 1K2S |
| GPA | 4FCK 4FCI |
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.