(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: PLL
File name: alatis_output_compound.sdf
|
Formula: C3H5Pd1 Compound mass: 147.4916 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 |
| PLL | 3NP0 2ZG7 2ZG9 5E2D 3NOZ 3NP2 5YHB 5YHA 5HQO 3AF8 3AF9 2ZG8 3AF7 |
| TSM | |
| TME | 6IUR 2KNL 2KNK 4XG1 4ZDR 1LUH 1HZ2 |
| SBU | |
| BUT |
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.