(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: AZZ
File name: alatis_output_compound.sdf
|
Formula: C10H13N5O4 Compound mass: 267.2408000000001 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 1.00
- Compound probability: 0.47
List of identified carbohydrate fragments:
-
C5H8N2O2
Fragment probability: 1.00
Fragment mass: 128.1289
Fragment main chain atoms: [2, 6, 7, 19, 8]
Fragment all atoms: [2, 23, 24, 6, 28, 13, 7, 29, 4, 26, 27, 16, 32, 19, 8, 30, 15]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| AZZ | 3B9M 4LHM 3B9L 2JJ8 3BCR |
| ATM | 4EAQ 2TMK 1E98 1N5Y 5I3U 1W2H 2WWI 3KLG 1E9D 3V6D 1E9B 4GMD 3V4I 5HP1 2JAU 3V81 1N6Q 2WWG 1E99 3KLH |
| 38S | 4QSX |
| 5AT | 1ON5 1KSE 1C95 |
| LLT | 3QEO 3HP1 |
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.