(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: AOX
File name: alatis_output_compound.sdf
|
Formula: C19H30O2 Compound mass: 290.4391000000001 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 |
| BDT | 3UZY 3DOP |
| AOI | |
| DHT | 1T73 5JJM 2PIV 1T65 1T7F 3DEY 1T7M 1I37 1T74 3L3X 2PIX 1I38 2PKL 4OEA 1KDK 2PIO 2PIP 4K7A 1T79 2PIT 1T5Z 1T63 1XJ7 1T7R 4OEZ 3L3Z 4OFU 4OFR 1T76 1T7T 2PIW 3KLM 2PIQ 2AMA 1D2S 1F5F 2PIU 4OED 1DHT 2Z4J 2QPY 4OEY 1KDM 2PIR |
| AOX | 4XO6 3UZX 2QP3 |
| AE2 | 1NFQ 1YB1 1DBJ 1X8J 1OV4 2QP4 2QP3 |
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.