(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: CSE
File name: alatis_output_compound.sdf
|
Formula: C3H7N1O2Se1 Compound mass: 168.05290000000002 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 |
| CSE | 1FDO 3U5S 2XSK 1PFP 3EAN 4KO3 3ZE7 3EAO 4KO1 3ZEA 3ZE8 3ZE9 3FWF 1H0H 3FWI 4KO2 4KL8 1FDI 1PAE 1AA6 3FWJ 2IV2 1KQF 1KMK 4KN9 4KO4 1KQG 2WPN 1CC1 |
| SEC | 2XSK 2BC7 6H3M 4KL8 2BC8 3EAN 1H0H 1PFP 4KO2 5W32 1FDO 5W2V 3U5S 5AZZ 3EAO 6RUC 5WLB 4KO4 3FWF 4KN9 2WPN 3ZE8 6RU9 1KMK 3ZE7 5W3C 1CC1 1SEL 5LZD 3FWI 1AA6 3ZEA 3ZE9 1GP1 5JSH 6RTP 1KQG 4KO1 4KO3 3FWJ 5FEX 5LZB 1FDI 1KQF 5LZC 2IV2 5JSK 1PAE |
| T9E | 6FRJ |
| UOX | 4KL8 4KO3 4KO2 4KO4 |
| SLP | 3A9Z |
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.