(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: NEP
File name: alatis_output_compound.sdf
|
Formula: C6H10N3O5P1 Compound mass: 235.1341000000001 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 |
| NEP | 3SQ8 5TDZ 2HWG 4XJ0 6ISN 4QP1 2SCU 6G4Q 1E58 3GIG 4QP2 4QP6 3FDZ 6MGG 2FP4 3KYI 1VSQ 5TDM 2FPP 2NU9 4QPA 1WVQ 5ZRM 5HTK 2QE6 4GPZ 2NU6 6ETJ 5TDF 5IUM 5HR5 5TES 5Y65 2HHJ 5ZS7 4YAK 2FPI 5Y64 1QWO 4XWH 6MV5 6E4Y 4YBZ 5ZS8 1SCU 5LFK 6E4Z 4QP3 1TIP 1EUD |
| PSH | 2R7C |
| HIP | 1PFH 2VME 1JEM 1NSQ 4UHN 6E4Z 1NSP |
| HIS_LFOH_DHE2 | |
| HIS_LFZW |
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.