(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: G
File name: alatis_output_compound.sdf
|
Formula: C10H14N5O8P1 Compound mass: 363.2201 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 1.00
- Compound probability: 0.42
List of identified carbohydrate fragments:
-
C5H8N1O4
Fragment probability: 1.00
Fragment mass: 146.121
Fragment main chain atoms: [5, 6, 9, 23, 3]
Fragment all atoms: [5, 29, 16, 35, 6, 30, 17, 36, 9, 31, 15, 23, 3, 28, 1, 25, 26, 22]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| 5GP | 4ZFN 1PZM 4Z87 3KYG 2JKZ 2ANB 5TC3 4FWO 1ME1 3GCM 2CNW 3ZPG 3N1T 2KLH 2VFA 5Y61 5ESX 1IYB 3SLQ 3LUH 1HMP 4P86 1ME0 6MXC 1XZ8 1T9S 4Z0G 4PEG 2XBU 2BWG 3X0A 4RHT 4ACB 4GTY 6QSK 3X0C 1LVG 4EGU 1A97 3PEN 4HIU 2FXV 3LNC 1VCZ 5X71 3X02 3X08 1QK3 1GKY 5DHC 3KIA 3OXK 1HGX 5GNQ 4LM9 6HGS 1G9T 5KM1 1ZNX 3N1S 1ECB 2JKY 4NZX 3KYF 5XTK 4G0Z 5DHB 6I0M 2W27 1J1G 4X4V 3DY8 2J41 3B89 4XBA 3RL3 2B8W 2P1D 4ACA 3W5W 1WAJ 4AC9 1AO0 4FF4 2D4H 5K1D 4IT0 4FF3 4O7Z 5Y62 6GAW 1C9K 4ME4 3TR0 4O84 3X06 3MD7 2XJC 6GB2 4H2W 1EX7 6J23 4Q9F 6MFU 5O7F 2A7R 4OHF 3DYS 2JBH 2OUQ 4FF2 4X4N 3KB8 1G7C 5JV5 4DWQ 3ACC 2PNZ 1J1F 3RHN 1JXM 3RL4 3PY6 2QOR 1RNC 2A1Y 2BLE |
| G | |
| LG | |
| CPG | |
| 0G | 2GQ7 2GQ5 2G32 4R8I 4WB3 2GQ4 4WB2 2GQ6 2GPM 1R3O |
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.