(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: OVE
File name: alatis_output_compound.sdf
|
Formula: C10H14N5O6P1S1 Compound mass: 363.28630000000004 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 1.00
- Compound probability: 0.43
List of identified carbohydrate fragments:
-
C5H8N1O4
Fragment probability: 1.00
Fragment mass: 146.121
Fragment main chain atoms: [6, 7, 10, 20, 4]
Fragment all atoms: [6, 29, 17, 35, 7, 30, 21, 10, 31, 15, 20, 4, 28, 1, 24, 25, 16, 34]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| OVE | 2YP0 3ZBZ 2YOZ 3ZBS |
| QQY | 2YPH |
| 6NW | 5JS2 |
| 2AM | 5LDM 4YAF 4YAO 6RNT 7RNT 1PGQ 4YAU 5URI 4YAW 2YQ9 4WCC 5DW8 4WFR 4WDA 4QAK 3AHW 4WDB 2YDD 4YAL 1RGK 3OCX |
| A2P | 3JQP 4PEH 1O0O 2IYP 3JQQ 2OK7 1FND 4AJC 1FNC 4WDF 2GZ2 1H1H 4AJS 2VNI 4R3W 4WDG 3PWS 5JH2 1HI3 4YE2 6O0W |
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.