(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: NRI
File name: alatis_output_compound.sdf
|
Formula: C5H12N1O5P1 Compound mass: 197.12580000000008 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 |
| NRI | 5VHV 5KUB 1DIZ 5CLD 3FSQ 1Q3F 3FSP |
| NR1 | 6U7T 6Q0C 5DPK |
| YRR | 1BNK 1F6O |
| PAZ | 2ZSA 3BF3 6AI9 5KPZ 3AEZ |
| IR8 | 5VJN |
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.