(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: 3R3
File name: alatis_output_compound.sdf
|
Formula: C5H14N1O13P3 Compound mass: 389.0844000000001 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 1.00
- Compound probability: 0.45
List of identified carbohydrate fragments:
-
C5H8O5
Fragment probability: 1.00
Fragment mass: 148.11370000000002
Fragment main chain atoms: [3, 4, 5, 18, 2]
Fragment all atoms: [3, 26, 7, 30, 4, 27, 8, 31, 5, 28, 19, 18, 2, 25, 1, 23, 24, 17]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| 3R3 | 4WN3 |
| RI2 | 5YFW 5YG6 5YFV 3Q88 5YG9 5YFS 5YFT 5YGA 3VM6 5YG7 5YFX |
| FDP | 3FBP 3HQQ 3O8O 3HQP 1FPB 4KCW 4KCT 5Q0C 2QVU 4HYV 4HYW 1FRP 4KCV 4KCU 2QVR 2QVV 2I1V 5AJV 4KS0 4GWU 3QPV |
| R1P | 2H4L 6K5H 1A9T 3QPB 1RXC 3BJE 3FB1 6K8P 1TGY 5KO6 |
| RDP |
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.