(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: OFE
File name: alatis_output_compound.sdf
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Formula: FE1O1 Compound mass: 71.8444 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 |
| OFE | 2YJK 2YJJ |
| C1O | 1OF0 1GSK 3G5W 1AOZ |
| MM4 | 1DMS |
| 2MO | 1E5V 1TMO 2XTS 1DGJ 1DMS 1E61 1E60 |
| SM | 5UM9 5KTJ 6NBT 4P1J 5LXR 1CX8 1YZR 2ANX 5G3S 4ZHH 5K97 5ZC0 5NSJ 2O5W 1DKH 1LT7 1R14 5KSE 2ANV 1QAT 3Q8L 1A4Z 2WJD 2X3L 4REB 2HYZ 1EXZ 4P1H 1SOI 5ZB8 1BIX 3KLT 1XR5 1QJM 1UZP 2X6C 1A3C 2O3H 3Q8K 2TCL 4AFP 2E0Y 4F3V 2VZY 1TVG 1DT6 |
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.