(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: J1S
File name: alatis_output_compound.sdf
|
Formula: C33Co1H37N4O4 Compound mass: 612.6029999999978 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 |
| J1S | 3WFT 5AZR 3WFU 5AZQ |
| J1R | 5AZR 3WFT 3WFU 5AZQ |
| DEU | 1PYZ 1VL3 |
| COH | 3QH0 5JVZ 3OLU 5IKQ 1YOG 5KIR 1COH 4RUT 2ZDP 3HS5 5JW1 1DIY 5JVY 3OLT 3HS6 3KRK 3MDL 1IGZ 5FDQ 5IKV 3HS7 2O5S 4E1G 3QZP 1FE2 1U67 5IKR 3TZI 5F1A 4N73 5F19 1LFM 5IKT 1YOI 2O5T 1IGX 1YOH |
| UP3 | 3D8N |
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.