(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: DAB
File name: alatis_output_compound.sdf
|
Formula: C4H10N2O2 Compound mass: 118.13400000000006 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 |
| DAB | 3FQ9 2N5W 1JDK 2M7I 5YU4 6D2U 1JAR 6CIV 1J9V 4ZJX 2N5Y 5L3G 3U51 5L3F 6CBI 1B4H 2PM1 3D3S 6GXC 3DS9 3U4W 6Q5M 3KED 1J73 5LRV 4XMZ 2W76 |
| EUP | 6CAE |
| ABU | 4ATQ 5ODM 1QUR 4M3C 3USU 2YOE 5OE1 6HUP 6DW1 5LTV 6HUJ 4A96 2JT9 6JDW 4I30 1M18 6D6U 1M19 6EB3 6HUO 2OKJ 4K17 4PCR 6A96 1M1A 3IP9 6DW0 3S0S 5T4J 5X03 6D6T 1S32 4RLG 4MS3 3V5A 2OKK 4EUO 5LRV 6DN6 |
| DSG | 6BEU 5N8J 2RQO 4GLU 6BE9 5KWO 2KQL 2JUE 2IH0 2LBZ 4OIK 2IGZ 3LNJ 1T5N 5E5T 5GOH 5HHC 1XT7 5CGO 5JBV 5GOC 3TPX 5GOI 1T5M 5X3M 5GO7 5CGN 4GLS 3BOG 5I1S 2Q33 4TTM 5HHD 5GOB 4TTN 5XDP 5GOJ 5JBY 5I1N 5J8P 3UE7 5E5Y 5I1P 4OIJ 5GOD 4GLN 5I1O 5GOK 6KZF 5XPK 5GO8 5GOG 5X3O 3TRY 3V0X 6KZU 3TRV 4TTO 3TJW 4OXD |
| ASN_LEO2 |
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.