(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: DHK
File name: alatis_output_compound.sdf
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Formula: C7H10O5 Compound mass: 174.15090000000006 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 |
| DHK | 1GTZ 1WE2 1SFJ 2O7S 2O7Q 3PHJ |
| FA1 | 1GU1 3N7A 2C57 1H0R |
| 48P | 4CIV |
| XH2 | 4CIW |
| SKM | 3PHI 2D5C 1ZYU 2EV9 2G1K 4P4L 3NVS 4FSH 5TED 2HK9 3PHH 1U8A 4Y0A 3PGJ 3SLH 4GUJ 1ZUI 2IYQ 3BAF 3JYQ 3TNL 3SEF 4FQ8 4FR5 2AAY 3DOO 2IYS 2AA9 2DFN 3T39 4FOS 2IYR 6BMB 4P4G 2GPT 2IYX |
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.