(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: JZ7
File name: alatis_output_compound.sdf
|
Formula: C7H12O2 Compound mass: 128.16850000000005 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 |
| JZ7 | 3HTG |
| 4XR | 5C4L |
| AQA | 5OLS 3ZSC |
| GCD | 5GX7 5GX6 1OFL 4A2M 5XS8 1OJM 3E7J 6BYX 1HMU 5GUB 6BYT 6D3U 1OJN 5UAS 3ANK 1C82 1OJO 1OFM 6INZ 1OJP 1HMW |
| MAW | 2ZAA 3EW4 4F13 3EVL 4E25 5H71 4XIG 3A09 4F10 4E23 3VLV 4TQU 1HV6 3AFL |
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.