(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: S3P
File name: alatis_output_compound.sdf
|
Formula: C7H11O8P1 Compound mass: 254.1308000000001 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 |
| 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 |
| EPS | 1QXO 2O0Z |
| SKP | 1Q36 2O0X |
| SKM | 3PHI 2D5C 1ZYU 2EV9 2G1K 4P4L 3NVS 4FSH 5TED 2HK9 3PHH 1U8A 4Y0A 3PGJ 3SLH 4GUJ 1ZUI 2IYQ 3BAF 3JYQ 3TNL 3SEF 4FQ8 4FR5 2AAY 3DOO 2IYS 2AA9 2DFN 3T39 4FOS 2IYR 6BMB 4P4G 2GPT 2IYX |
| SC1 | 1X8R |
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.