(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: 2P0
File name: alatis_output_compound.sdf
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Formula: C7H13N1O10P2 Compound mass: 333.1259000000001 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 |
| 2P0 | 4DPY 3QT6 4DU8 |
| TPZ | 3M2R |
| A3C | 3P5P 3PYB |
| TXZ | 3M2U 3POT |
| TP7 | 5A8R 1HBU 1HBN 3M2U 1E6V 5A8K 3M2V 1E6Y 5A0Y 5A8W 1MRO 3M30 5N28 5N2A 3M1V 3M2R 3M32 5G0R 3SQG 5N1Q 1HBO 5ODR 3POT 5ODH |
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.