(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: J3I
File name: alatis_output_compound.sdf
|
Formula: C21H32N6O2 Compound mass: 400.5165000000002 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 |
| J3I | 5MNQ |
| 0G7 | 2HPQ 3PMH 1HUT 2FIR 2HPP |
| DFK | 3E6P |
| H37 | 1CVR |
| 0Q4 | 1EBK 1DW6 1K2C 1K2B 1FFF 6O5X 1BAI 1K1T 1A94 1A8K 6O48 1K1U 1DAZ 1FG8 5KQZ 2AOE |
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.