(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: BBR
File name: alatis_output_compound.sdf
|
Formula: Br1C3H6O5P1 Compound mass: 232.95430000000007 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 |
| BBR | 2VEM 2Y63 |
| 13P | 2QUU 1FDJ 1OK4 3MHG 5UJW 3T2G 2QJH 2QUT 5TK3 3Q94 5KTN 1E48 2QJI 1WPQ 5TKC 1NEY 3EKL 2R4J 4YMZ 3DFS 5VJD 5VJF 3EKZ 6E90 1J4E 6BTG 4RGQ 3DFO 2WM1 1E47 5F4W 1NF0 5UD0 3BXF 2R4E 5UCK 5UD2 5UCP 1ADO 5UCZ 2FJK 5TKL 6IUY 3T2C 3R1M 5F2G 3BXE 3BV4 1K8Y 5UCN 6NSO 4C25 5F4S 2V2A |
| PEZ | 1PCK |
| HPV | 3DDN |
| 0V5 | 5WI5 6NKJ 4UMB 6CN1 3UJS 5U4H |
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.