(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: NFE
File name: alatis_output_compound.sdf
|
Formula: C2Fe1H1Ni1O3S2 Compound mass: 251.69590000000002 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 |
| NFE | 1H2R 1H2A |
| FS0 | 6DJT |
| Q46 | 5MKP |
| FNE | 1UBH 1UBR 1UBO 1UBM 1UBK 1UBL 1E3D 1UBJ 1UBU 1UBT |
| S3F | 4IUB 4IUC 4IUD |
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.