(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: BRN
File name: alatis_output_compound.sdf
|
Formula: C14H15N7 Compound mass: 281.31520000000006 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 |
| BRN | 5TP0 3GY6 2GBY 3GY8 3GY2 2DBE 3HIG 3GY5 268D 2GVR 1D63 |
| PBZ | 2BDI 2BDH 2A2Q 3GY4 1RFN 2BDG 6MV4 1FIW 5LHP 1FIZ |
| 6UP | 4FUD |
| 9UP | 4FUG |
| UI2 | 1SQO |
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.