(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: CBY
File name: alatis_output_compound.sdf
|
Formula: C48Co1H72N11O8 Compound mass: 990.0844999999968 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 |
| CBY | 5M29 5NRP 3CI4 4KKJ 5M2Q 5M3B 5M34 |
| HCB | 3EZX |
| 9QQ | 5OBP |
| OBL | 5MAA 5OBI |
| BVQ | 4UR2 4UR3 4UR0 4UQU 5M8Z 5MA1 5M2G 5MA0 5M8W 5M8U 5M91 5M8Y 5MA2 5M92 5M8X 5M90 4UR1 |
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.