(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: 2PL
File name: alatis_output_compound.sdf
|
Formula: C2H5O6P1 Compound mass: 156.0311 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 |
| 2PL | |
| PGA | 5I3I 2VEL 2V2C 1AW1 5I3K 1S89 1G5L 1S8A 1ML1 5WN2 1G5K 2V2H 5Y2W 1A3X 2BKV 5I3H 1TTI 6PFK 2RKA 1SW7 1OFO 5GZP 2VGF 2VXN 2VGI 2VGG 5V9H 1LZO 1EGH 3DTB 1AMK 2VGB 2BTM 1GJ2 1A3W 1SU5 2J27 3MOH 1TE2 5GV4 1GG1 4BI7 1PDZ 5EYW 1SW0 1N0O 1QDS 2YC6 6BVE 1KV5 1LYX 1N55 1SSG 4OG8 2YPI 3PVF 1BTM 5FH5 6MGI 4FF7 1SW3 1GJ1 1HTI 1N0K 4BI6 2YC7 6ENL |
| 0V5 | 5WI5 6NKJ 4UMB 6CN1 3UJS 5U4H |
| PEQ | 1AQF 4UMC 3FJ7 |
| XSP | 3UJS |
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.