(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: SF9
File name: alatis_output_compound.sdf
|
Formula: C6H12O6 Compound mass: 180.15540000000007 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 1.00
- Compound probability: 1.00
List of identified carbohydrate fragments:
-
C6H12O6
Fragment probability: 1.00
Fragment mass: 163.14810000000003
Fragment main chain atoms: [4, 5, 6, 12, 3]
Fragment all atoms: [4, 18, 9, 22, 5, 19, 10, 23, 6, 2, 15, 16, 8, 21, 11, 24, 12, 3, 17, 1, 13, 14, 7, 20]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| PUF | 4YTT |
| FRU | 5FK7 4D47 6R3U 3U14 5GOO 3S29 5F0Z 2ZZD 3RWK 6FJE 2DD4 2X7X 3S27 2HK1 3U75 5FK8 4ZB0 5FMC 4B1L 5FMB 5HY8 5ZKW 3PIJ 5FKB 5YGG 4B1M 4NRR 4FNU 1N3Q 3KF3 2XQR 2I58 5EYN 2ADE 6PHX 5BQU 1LES 3NBV 5XHA 6SE9 2INV 5F11 4ZBC 1N3P 5NSL 1AF6 3VSS 5FKC 5N6V 2O51 1Y9G 4ZB2 2DWJ 6FJG 3B75 3BRQ 3FIT 4RK9 2FIT 3MPB 6G1I 2HW1 4IW1 5GOP 3LM9 1FIT 3NFM |
| LRH | 3ITL 2UYT |
| SF9 | 3WW2 |
| LFR | 1ZX5 2CGJ 2CGL |
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.