(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: GLU_LEO2H
File name: alatis_output_compound.sdf
|
Formula: C5H8N1O4 Compound mass: 146.12100000000004 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 0.68
- Compound probability: 1.00
List of identified carbohydrate fragments:
-
C5H7N1O4
Fragment probability: 0.68
Fragment mass: 146.121
Fragment main chain atoms: [4, 2, 1, 3, 5]
Fragment all atoms: [4, 7, 8, 17, 2, 13, 14, 1, 11, 12, 3, 15, 6, 5, 9, 10, 18]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| GLU_LEO2_DHE2 | |
| GLU_LFOH | |
| SYM | 5CMM 5KUF 6JMV 1SD3 |
| DGL | 3TRY 6S6Y 3V1G 2Q33 2R5B 4WKM 3IJI 4GLU 5KX0 5HHD 5GOD 4L8W 3MGN 5GOC 2KQL 2KJU 5I1O 5JBY 1CWZ 2JUE 5JBV 4GLS 5XDP 4OIK 5W16 6BET 6BER 2W4I 5GOI 2AIZ 1C4B 5J8P 5GO7 2J8G 5CGN 4GLN 4B1F 3OUT 3IJQ 6BEW 6FCS 3LNJ 5GOH 5HJ7 6BEN 6G7N 5I1N 3TPX 5I1S 6FCR 5GOJ 2JFZ 5GOG 5X3O 5GOK 5GOB 5I1P 5E5Y 5AA2 5N8W 5GO8 3L35 5N8J 3L37 6KZU 1CW8 2JFY 5IJW 3OEL 1KR6 5NE2 2R3C 3FHV 5CGO 3GO0 1CVQ 5N8T 2J8F 3TJW 1D0K 5GDS 2JFP 2VVT 1CZQ 6CNU 5X3M 2R5D 2JFX 3IWY 2GZM 5E5T 5XPK 3TRV 2DWU 3L36 4OIJ 5HHC 4NZ6 3UE7 1QUR 2JFQ 5W1Q 3UHF 1ZUW 3GKR 3QV4 5XNI 2JFO 3IJL 2Q3I 6KZF 4CHX 4THN 4TTM 3UHO 5CTV 4TTN 1MCK 4K7T 4BXE 4TTO 6FCU 3TUR 3KOB 3R1Z 3H41 6FBT |
| GLU_LFZW |
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.