(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: QPT
File name: alatis_output_compound.sdf
|
Formula: C6H12N2O4Pt1 Compound mass: 371.24800000000005 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 |
| QPT | 4LT2 4DD7 4G4H 4NSF 4DD9 4NSG 4S0Q 4LT1 4OXE 3TXH 4LT0 4NSJ 4OWA 4G4C 4XAN 4LT3 3TXI 4NSH 4NSI 5NA9 |
| M8O | 3ZDS |
| WHW | 4CQ7 |
| OPD | 1ICQ |
| 14Y | 2YL4 |
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.