(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: PE0
File name: alatis_output_compound.sdf
|
Formula: C6H5N5O1 Compound mass: 163.13660000000002 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 |
| PE0 | 5Z79 3LZE 3M0N 3HD2 |
| XTN | 3LX3 |
| GUN | 4H7Z 6PII 4HP7 3BP1 4ECE 6PI5 1VMK 2JHP 1XY3 2JH8 2O74 1A95 3UXV 3NVW 1IT7 3N3X 1SQL 2POT 1D6A 1V2H 1YQU 1WET 1XE7 1YQQ 5IT8 5J91 5J7L 3N1N 5N6F 2PUF 2JHA 6HBG 2JH9 2JHC 2I9U 2OOD 3V9O 5J88 1Y27 3RTX 6I7V 1ULB 4YBB 6DEB 5JC9 2PWU 5J5B 5J8A 1XT4 2PUC |
| HHR | 2W54 1RU2 1TMM 3IP0 |
| ANG | 1M3Q 1LWV |
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.