(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: MTQ
File name: alatis_output_compound.sdf
|
Formula: C10H9N5O8P1S2 Compound mass: 422.31059999999997 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 1.00
- Compound probability: 0.38
List of identified carbohydrate fragments:
-
C6H3N2O2
Fragment probability: 1.00
Fragment mass: 136.108
Fragment main chain atoms: [21, 9, 3, 6, 5, 2]
Fragment all atoms: [21, 9, 27, 13, 3, 12, 6, 5, 2, 1, 25, 26, 20]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| MTQ | 1OGP |
| MTV | 2BII 2BIH |
| PGD | 1H5N 1E61 1E60 1E18 2DMR 1DMS 1E5V 3DMR 1DMR 4DMR |
| TXN | 3HIV |
| H2B | 4CX1 4CX2 2V6T 4NOS 1DWW 2FBZ 1TG2 |
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.