(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: 1PS
File name: alatis_output_compound.sdf
|
Formula: C8H11N1O3S1 Compound mass: 201.24240000000006 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 |
| 1PS | 5E5U 5KK7 6JKZ 4XRG 4URF 4XR4 4XQE 5KKB 2RFQ 4XQC 4AP9 6JL2 2GA4 1R4P 4XQG 4P7U 3NGQ 4M1U 4TVB 6G0C 4URE 5KIJ 3JYU 5AYK 6G1B 5AYL |
| 41D | 4XJJ |
| A20 | 4FOW |
| NNK | |
| NDS | 5NX7 2NP5 3IJC 5NX6 1TCV 4IRZ 2V42 1U3C 1U3D |
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.