(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: DJP
File name: alatis_output_compound.sdf
|
Formula: C4F1H3N2O1 Compound mass: 114.07770000000001 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 |
| DJP | 6BFV |
| P1R | 2GTF |
| URF | 3KVR 4E1V 1RXC 5SXC 1UPF 3NSR 3KVV 4WS0 4TXN 3NAI 1H7X 4WRY 3NBQ 6KLK 5IAO 4WRZ 4WS1 4O0O |
| 1LD | 4R88 4JNR |
| LGA | 5FPR 5IXB 2JJC 2XDU |
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.