(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: NIT
File name: alatis_output_compound.sdf
|
Formula: C6H6N2O2 Compound mass: 138.12380000000002 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 |
| NIT | 5UY9 1ZKF 1V9T 3T1U 1RMH 1LOP 2IXP 4ITZ 3LUO 1VBT 1VBS 1PIP |
| NBZ | 2BMQ 4EKP 4R6Q 3BGU |
| NBE | 2NSS 1LH7 3HU9 2LH7 |
| NIN | 5O00 1GVY 1RSM 1GW1 |
| PND | 1JMZ |
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.