(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: NTR
File name: alatis_output_compound.sdf
|
Formula: C8H9N1O4 Compound mass: 183.16100000000006 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 |
| NTR | 3VFK 3VFJ |
| 3FG | 4K3T 1GAC 2XAD 1HH3 3MG9 5AWV 1GHG 1HHC 1AA5 1FVM 3VFJ 1GO6 1HHU 1HHA 3MGB 3VFK 1QD8 3RUN 2WDX 4MFQ 1SHO 1RRV 4EEC 4MFP 5M2H 4PK0 1HHZ 4MFL 4PJZ 1HHF 1PN3 1HHY 1PNV 1C0Q 1C0R 5M2K |
| D3P | 1W7R 1W7Q |
| 02V | 3S04 |
| GHP | 1GAC 1GHG 1C0Q 5AWV 1FVM 1GO6 4PJZ 3VFK 2XAD 1HHC 1HHA 1HHZ 1PNV 1HHU 4K3T 1HH3 1HHF 1DSR 3MGB 1QD8 4MFL 3VFJ 1W7Q 5M2H 1AA5 1HHY 1RRV 4MFP 1W7R 5M2K 3MG9 1C0R 4PK0 4EEC 1SHO 2WDX 4MFQ 3RUM 3RUL 1PN3 3RUN |
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.