(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: ZR
File name: alatis_output_compound.sdf
|
Formula: Zr1 Compound mass: 91.224 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 |
| ZR | 5KHP |
| HGC | |
| MMC | 5G5N 1MMS 4CT3 1CIM 3PYK 2D2N 1CIN 1G9X 1BIC 1IN0 1L9A 1FO8 1YU1 1CWT 1G6H |
| EMC | 2WCD 6PII 6BZI 1O9L 3LHR 1TLF 3MQI 1RHY 5LF8 6HP1 3WMZ 4IHD 4OFY 5CV3 1CJX 1EUW 1QD9 1X8K 5LU8 1EZJ 6G4H 3ZYT 1EMS 4FJ4 3A0W 1AO7 3LK1 1IRK |
| 4SM | 3K7R |
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.