(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: ATL
File name: alatis_output_compound.sdf
|
Formula: C11H15N2O9P1 Compound mass: 350.2180000000001 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 1.00
- Compound probability: 0.48
List of identified carbohydrate fragments:
-
C6H8N1O4
Fragment probability: 1.00
Fragment mass: 158.1317
Fragment main chain atoms: [6, 7, 11, 22, 9]
Fragment all atoms: [6, 32, 20, 7, 33, 14, 36, 11, 4, 3, 30, 31, 21, 28, 29, 22, 9, 34, 13]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| TLN | 1S9L 1I5W 4L0A 1HHW 1H0Q 1HHX 5DHB 2X2Q 5HBW |
| ATL | 1GV6 1OKF |
| T39 | 2M39 411D |
| 126 | 1I0P 412D 1I0N 1I0K 1I0Q |
| 2MU | 5DOX 6BOH 5WIS 4Z3S 5DFE 6ND6 5DOY 5J3C 5W4K 6BOK 6UO1 6OF1 6CFJ 6CFK 6SGC 6ND5 6B4V 6FKR 5J30 5WIT 5CZP 6N9F 4Z3R 5J4B 5J4C 5UQ8 5VP2 6CAE 4Y4P 4Z3Q 4Y4O 5UQ7 5J4D 1FIR 1PWF 6N9E 6CFL |
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.