(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: OME
File name: alatis_output_compound.sdf
|
Formula: C1H3O1 Compound mass: 31.0338 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 |
| MOH | 4YGO 1JOH 5LCT 1POP 1AMT 6CJ6 6EKY 6JKX 2IZQ 6EKX 5LCP 1C4D 6EKW 4OB2 1TG1 1GMK 9PAP 1ALX 5M0U 4C38 1QOW 2ASC 1QFI 5UG4 1A7Y 3Q8J 1PE6 4Z84 6D5U 5LCR 5OXU 3ZO3 1AV2 4CUP 6B6T 3R5T 1ZWP 5EJ0 1FZ6 1TGT 3U0F 5LCU 1TYJ 6F5I 1SKG 2O5L 5UUE 4M6E 4FH7 3N7H 4C36 1Q7A 4XQZ 4Z2I 5VJM 1ZD0 1PPP 3RGA 5M0B 2XEN 3L8L 3RV4 4YW9 3ZO1 1Q99 6MW0 5LCQ 2TGT 1PPN 1FN6 5VJL 1Q8Z 5M71 3SBN 1BEL 4YW8 6NJ6 4BY8 |
| OMB | |
| OME | |
| 2F2 | 4MZ8 |
| OXA |
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.