(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: XAN
File name: alatis_output_compound.sdf
|
Formula: C5H4N4O2 Compound mass: 152.1107 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 0.00
- Compound probability: 0.00
List of identified carbohydrate fragments:
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| XAN | 1YR3 3EUB 1A96 2W3S 5GRK 6OHA 5H9I 3L8W 5I6C 3GAO 2UZ9 3ODG |
| URC | 2YZB 6AD4 4YSW 4YTZ 4YTY 3AMZ 4YRW 6AC1 3AN1 3L9G 6ABU 6AJU 3BJP 4D17 4PR8 6A7X 3OBP 4D19 2E3T 1L5S 4D12 3RP7 |
| HPA | 3ENZ 1VFN 2PUG 2EEU 5TBU 2EES 3OZF 5MX6 2W55 3OZB 1QP0 3NRZ 4FEN 1A9T 1A9Q 5MX8 1JFT 1A9R 1QP7 5IFK 4FEJ 2W3R 1JFS 3LBA 5C7W 1QQB 4NYD 4DAB 1QPZ 4FEL 6HGQ 2EEV 2PUD 3PAN 1QQA 4FE5 1BDH 3FNQ 3SCZ 1ZAY 4UC0 5MX4 1JH9 1BDI 5C7U 6II7 1U8D 1QP4 2EET 1PNR 2EEW 1VPW |
| 8TX | 3LBG |
| 8HX | 4N9M 4N9S |
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.