(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: XPO
File name: alatis_output_compound.sdf
|
Formula: C1H3O5P1 Compound mass: 126.00520000000002 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 |
| XPO | 4IOL 4JKI 4JJZ 3RBO 4IOK 3SIN |
| UVW | 1XCO 4MVA 1E7Q 1E7R 5IBZ 4MVJ 1E6U 1E7S |
| CP | 3L04 2FG7 5G1P 3VF4 2AIR 4NF2 1EP9 2I6U 4JHX 3VEZ 1C9Y 2G7M 3R7F 4JFR 3MJM 1FVO 1ZA2 3VF2 3VET 4H31 3KZM 3VEO 3KZO 6HL7 3L05 3L02 3VES 3L06 |
| KOP | 3Q3Q |
| TZZ | 2D2H |
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.