(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: ROB
File name: alatis_output_compound.sdf
|
Formula: C5H11O7P1 Compound mass: 214.11000000000007 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 1.00
- Compound probability: 0.69
List of identified carbohydrate fragments:
-
C5H9O4
Fragment probability: 1.00
Fragment mass: 133.12220000000002
Fragment main chain atoms: [3, 5, 4, 11, 1]
Fragment all atoms: [3, 18, 6, 21, 5, 20, 7, 22, 4, 19, 2, 16, 17, 12, 11, 1, 14, 15]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| N | 4UER 1EG0 1DV4 3U5B 1QD7 4BYO 4V88 4V8Y 3U5F 4V8Z 4CE4 1Q2S 4BYV 1R16 2I82 1R15 3DZI 1FYK 1G9S 1G9T 1PHW 1Q2R |
| ROB | |
| AHG | 1FPD 1FBC 1FPF 1FPL 1FPI 1FBE 1FPE 1FPG 1FBD 1FPJ |
| AHM | 1FBG 1FBF |
| DN | 5VC8 |
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.