(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: UAL
File name: alatis_output_compound.sdf
|
Formula: C4H7N3O3 Compound mass: 145.11640000000003 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 0.93
- Compound probability: 0.40
List of identified carbohydrate fragments:
-
C2H1O2
Fragment probability: 0.93
Fragment mass: 85.06130000000002
Fragment main chain atoms: [3, 2]
Fragment all atoms: [3, 8, 9, 17, 2]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| UAL | 4V85 4V9O 4KD0 3KNH 4KJ2 4V9P 5V93 4KBT 3KNJ 4KJ0 4V9L 4KJ6 3KNL 4V9J 4KJ8 3J5T 3KNN 4KCY 4KJ4 4V7M 4V9K 4KJA 4KIY 3J5X 4KD8 4KDA 4V7L 4V7C 4KBV 3SFS 4V7D |
| HPY | 1P6O 2O3K 1K70 |
| MDH | 3EGH 1EVC 1AY3 1EVD 3E7A 2BCD |
| DYA | 5A8R 5G0R 6NSU 5A0Y |
| 2KZ | 4PB4 |
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.