(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: ADX
File name: alatis_output_compound.sdf
|
Formula: C10H14N5O10P1S1 Compound mass: 427.28389999999996 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 1.00
- Compound probability: 0.37
List of identified carbohydrate fragments:
-
C5H8N1O4
Fragment probability: 1.00
Fragment mass: 146.121
Fragment main chain atoms: [6, 7, 10, 24, 4]
Fragment all atoms: [6, 33, 16, 38, 7, 34, 17, 39, 10, 35, 15, 24, 4, 32, 1, 28, 29, 23]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| ADX | 1JEE 1I2D 4BZQ 4MAF 2GOY 2OFW 2FJA 1M7G 4FXP 5CB6 5CB8 1M7H 1G8G 1G8H 1XNJ 2QJF 4BZX 2PEY 1V47 3UIE |
| PPS | 4IFB 1BUX 2ZYT 3CR7 1M8P 1HY3 2OFX 2ZYV 2ZYU 3F3M |
| GGZ | 2PEZ |
| AP7 | 5LWJ 1U6P 2RRC |
| 0A | 4WB3 4R8I 4WB2 |
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.