(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: ETZ
File name: alatis_output_compound.sdf
|
Formula: C4H10O1 Compound mass: 74.12120000000006 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 0.50
- Compound probability: 1.00
List of identified carbohydrate fragments:
-
C4H10O1
Fragment probability: 0.50
Fragment mass: 74.1212
Fragment main chain atoms: [3, 5, 4]
Fragment all atoms: [3, 12, 13, 1, 6, 7, 8, 5, 4, 14, 15, 2, 9, 10, 11]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| ETZ | 4HP2 |
| 2ME | 6L0Z 6L3E 5XHK 5WWD 2HV8 |
| ETX | 5OV9 5A8K 6CJ6 2FD6 4J30 2VZY 5LTE 3E49 2WNZ 1R37 4F3D 6IHD 5OIC 3KNZ 3DT7 2HX5 4J32 2Y2V 4OX2 3BYB 5NUE 3BBY 5OIR 2GNO 5OIM 5A2D 4V3F 2D1G 2R7H 3GBN 5OIL 6HB8 |
| MXE | 4ZOG 3HBE 5U35 3IWF 3HBD 1PJX 5E67 5E63 5YJA 5YJ2 3TEW 3TEZ 3O4P 2CB8 |
| MOE | 1KGK 4UC1 3SWI 3R8X |
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.