(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: FDP
File name: alatis_output_compound.sdf
|
Formula: C6H14O12P2 Compound mass: 340.1152000000001 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 1.00
- Compound probability: 0.60
List of identified carbohydrate fragments:
-
C6H10O6
Fragment probability: 1.00
Fragment mass: 162.14020000000002
Fragment main chain atoms: [17, 6, 5, 4, 3]
Fragment all atoms: [17, 6, 2, 23, 24, 7, 28, 18, 5, 27, 9, 30, 4, 26, 8, 29, 3, 25, 1, 21, 22, 16]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| FDP | 3FBP 3HQQ 3O8O 3HQP 1FPB 4KCW 4KCT 5Q0C 2QVU 4HYV 4HYW 1FRP 4KCV 4KCU 2QVR 2QVV 2I1V 5AJV 4KS0 4GWU 3QPV |
| RI2 | 5YFW 5YG6 5YFV 3Q88 5YG9 5YFS 5YFT 5YGA 3VM6 5YG7 5YFX |
| B16 | 5OK1 5O6P 2I55 5OK0 |
| G16 | 6NNU 5O9X 3OT9 3UN3 1C47 4FOI 1O03 2I55 2FKF 3UO0 5BMR 1O08 5KL0 6NNT 2FKM |
| R1P | 2H4L 6K5H 1A9T 3QPB 1RXC 3BJE 3FB1 6K8P 1TGY 5KO6 |
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.