(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: CGR
File name: alatis_output_compound.sdf
|
Formula: C15H23N5O14P2 Compound mass: 559.3148999999985 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 |
| CGR | 2O3T 3ZWN |
| MDG | |
| M7G | 1RF8 4TQC 5LOP 1XMM 5F98 4B6U 1AP8 1EJH 1EJ1 1V39 6IS0 5DTO 6RR7 5ME6 1EJ4 4OR4 4EMF 2IDV 5KQS 6C6K 3Q4P 5BV3 1JTF 6IRZ 5MSG 5H1M 3M93 2VP3 2JH8 |
| M7M | 3JCM 6QW6 6QX9 3M94 |
| P7G | 6MTE 6EK0 6MTB 6MTD 6MTC |
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.