(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: ATR
File name: alatis_output_compound.sdf
|
Formula: C10H16N5O13P3 Compound mass: 507.1804999999999 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 1.00
- Compound probability: 0.32
List of identified carbohydrate fragments:
-
C5H7N1O4
Fragment probability: 1.00
Fragment mass: 145.1131
Fragment main chain atoms: [6, 7, 10, 26, 4]
Fragment all atoms: [6, 37, 16, 42, 7, 38, 27, 10, 39, 15, 26, 4, 36, 1, 32, 33, 25]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| ATR | 4KNE 2HK9 6C7L 2IZ1 4KLX 3FWN 1AFL 3V0T 4KM0 3V0S 2IZ0 6C75 4KM2 1P77 1RA8 |
| A22 | 4DY6 2I2E |
| NA7 | 2WZM 6C4T 5M0Z 2XLU 4XJT 2UYY 3DGZ |
| A2R | 5J23 2PK3 1YON |
| DVN | 4F46 |
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.