(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: PEB
File name: alatis_output_compound.sdf
|
Formula: C33H40N4O6 Compound mass: 588.6922999999978 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 0.38
- Compound probability: 0.05
List of identified carbohydrate fragments:
-
C2H3
Fragment probability: 0.38
Fragment mass: 39.0558
Fragment main chain atoms: [2, 8]
Fragment all atoms: [2, 47, 48, 8, 63]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| PEB | 5Y6P 6KGX 1XF6 5AQD 5FVB 1B8D 5NB4 4LMX 2VJH 1QGW 5NB3 1XG0 3V58 3V57 1F99 2BV8 1PHN |
| PVG | 3VV4 |
| PVN | 5Y6P 2M7V 2J96 4GLQ |
| CYB | |
| PUB | 5Y6P 1B8D 6KGX 1EYX 1LIA 5B13 2VJH |
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.