(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: GWW
File name: alatis_output_compound.sdf
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Formula: H6O5 Compound mass: 86.04440000000001 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 |
| GWW | 6H74 |
| OMO | 1P0Z 1N60 |
| MOO | 2H5Y 6ETF 1GUO 5ERU 6FW2 1GUN 3GZG 1H9M 6H8H 1EOI 4HI1 3RVR 1Z13 3K6W 1O7L 2R8U 4BVP 6GX4 3K6X 1H9S 4BRF 6H6W 1AMF 6GAX 6GB4 6GUJ 3PSH 6H8B 2ONR 1H9J 6H73 6GU5 2A3P 6H74 2INN 5G2S 6GBC |
| J7N | 6H8B |
| M27 | 4BVP 4BRF 6H8H |
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.