(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: 144
File name: alatis_output_compound.sdf
|
Formula: C4H12N1O3 Compound mass: 122.14250000000007 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 |
| 144 | 3QDE 2IDF 6H5E 1V8F 6GS2 1YAD 3CQ5 5W11 6QII 1OI0 5LA1 6QGT 4ZCH 4JDV 2AI2 2EVE 4L4O 4FQ2 2AI1 1JVL 4ZM0 4FE2 6QGR 4AVZ 2RFM 6NCT 4UWX 5MSX 5WCF 5ZKK 2AI3 6N4T 4BZW 3B6M 5JFF 5NPY |
| RGI | |
| OUT | 1I2W |
| KEN | 4HVN 4OMF 4NEL 3KEN |
| TMA | 4YLQ 6R2W 1EK6 5JRQ 1SW4 5KGA |
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.