(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: NPA
File name: alatis_output_compound.sdf
|
Formula: C8H7N1O5 Compound mass: 197.14460000000005 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 |
| NPA | 6K4Z 1NGP |
| MNP | 1AI5 |
| AAN | 1AJN |
| NIY | 2H5U 2XAX 3ROL 4NDA 4BTZ 4B9R 4HHG 2XAY 2XAP 1SDA 2ADP 5AMC 2XAW 2XOF 3DIV 4HHW 2XAZ 1K4Q 2XAK 2XAV 4HIP 6CN8 |
| 4HP | 2YAJ 2YYJ 2JBT 3PCG 2YYM 5AIP 1AI6 |
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.