(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: FCO
File name: alatis_output_compound.sdf
|
Formula: C3Fe1N2O1 Compound mass: 135.8899 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 0.00
- Compound probability: 0.29
List of identified carbohydrate fragments:
-
C2
Fragment probability: 0.00
Fragment mass: 135.8899
Fragment main chain atoms: [1, 7, 3]
Fragment all atoms: [1, 7, 3]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| FCO | 1YQW 4GD3 1YRQ 1YQ9 4UE6 5ADU 6RTP 4UEQ 6G7M 3H3X 4UPE 4UQP 2FRV 4UD2 4KO3 6RU9 6G94 4UCX 4KO4 3USE 2WPN 3ZE6 6RUC 4UCQ 5A4F 4UQL 4KO1 5JSH 4UD6 3USC 4UE2 5LRY 6EHS 5A4I 5LMM 4UPV 3ZE7 5JRD 4URH 4UEW 3CUS 4KN9 3UQY 3CUR 4UCW 4KL8 4KO2 5XFA 6GAN 6EHQ 6GAM 6EN9 3ZFS 5XF9 6FPO 3ZE8 3ZE9 5Y34 5JSY 3ZEA 4UE3 1CC1 5JSK 5JT1 5JSU |
| FC6 | 5C9M 6I3J 1UX9 6I3K 1VZH 6N1O 1UT0 5DJQ 1VZG 4B3W 3MK7 5DF5 1URY 1URV 5C0Z 3CRW |
| NFU | 5AA5 4C3O 5ODI 5XLE 5XVB 5ODQ 5ODH 5ODR 3RGW 6QGR 5ODC 4OMF 6QII 5Y4N 6CFW |
| NFR | 1WUL |
| NFB |
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.