(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: 3T5
File name: alatis_output_compound.sdf
|
Formula: C22F1H30O8P1 Compound mass: 472.4397999999999 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 |
| 3T5 | 3TC5 |
| DEX | 4UDA 1M2Z 3MNP 1P93 6NWK 3GN8 3MNO 4UDC 3MNE |
| ZK5 | 1GS4 |
| S3P | 3NVS 2O0B 2IYY 2QFS 3FK1 3SLH 2QFT 1RF6 4ZND 3FJX 2GG6 3FJZ 2O0D 2O0E 2QFQ 1G6S 2QFU 2GGA 1G6T 2GGD 3FK0 3MUF 2IYZ 1MI4 |
| 1TA | 5UFS |
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.