(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: A4P
File name: alatis_output_compound.sdf
|
Formula: C17H24N10O17P4 Compound mass: 764.3234999999988 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 1.00
- Compound probability: 0.21
List of identified carbohydrate fragments:
-
C5H8N1O4
Fragment probability: 1.00
Fragment mass: 146.121
Fragment main chain atoms: [10, 11, 16, 41, 7]
Fragment all atoms: [10, 58, 28, 67, 11, 59, 29, 68, 16, 60, 27, 41, 7, 57, 3, 53, 54, 40]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| A4P | 1EX8 |
| LRP | 6O7Z |
| G5P | 2F3R 6RPU |
| G3A | 5C8S 2P3L 2PXC 3EVE 5UDJ 2XBM |
| GTA | 5YNO 5GP1 5WZ2 6TY8 5YNP 6TZ1 5YNM 2P3O 3HXG 6D0Y 3EMD 5YNF 5W5H 5UDI 6TY9 1ST4 3EVF 5UDL 1IPB 1WKW |
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.