(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: VNP
File name: alatis_output_compound.sdf
|
Formula: C12H20N5O6P2S1 Compound mass: 424.32890000000003 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 |
| VNP | 2G9Z |
| TPS | 1G4S 3NL3 2QRY 5DD7 3NM3 2HOM 3C9T 3NL6 2Y6Z 2TPS |
| FTP | 1G4T |
| TMV | 4BRH |
| TDP | 1U5B 1X80 1UMC 2PAN 3EYA 2O1X 1PYD 1MCZ 2IEA 3M49 3LQ4 2FWN 5DGD 5ESD 1QS0 6HAD 6HAF 1UMB 2QTA 3OOY 6CER 1V1M 1OLX 1V16 1W85 5DEI 1L8A 5HHT 3LPL 1X7Z 3EY9 6RJB 1X7X 1UMD 1W88 1OLS 4KXX 3LQ2 2BFE 1V11 5Z2R 1OLU 4KGD 1DTW 1X7W 4KXU 2O1S 4KXW 2BFB 4KXV 5ESO 1X7Y 2BFD 5Z2U |
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.