(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: 0VY
File name: alatis_output_compound.sdf
|
Formula: C5H12N4O2S1 Compound mass: 192.23890000000006 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 |
| 0VY | 4FRC |
| 0VW | 4FVN |
| FXQ | 6HBT |
| AG2 | 4XRG 4YV8 2QQD 3N2O 1MT1 4XR4 6B2W 5J4N 1N13 3AMU 1AQ7 4XQG 6AGG 3IQD 4XZK 3AU7 4XQE 2QQC 5NEX 5O69 |
| MRZ | 4X1N 4ZJ5 4X1S 5MNO 5MNN 4UE7 5F8X 4X0W 4ZHM 5F8T 5F8Z 6A8O 5MNP 4X1P 4ZJ4 4ZJ6 |
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.