(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: PCL
File name: alatis_output_compound.sdf
|
Formula: Cl2Pt1 Compound mass: 265.98400000000004 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 |
| PCL | 1QJ8 |
| PC4 | 2FYF 4HGA |
| CPT | 5F9U 3M9N 4DDC 4G49 5I0A 4MWM 3LPV 3M9O 5FCP 4DD4 2NQ0 4MWN 4DL4 4ZEE 4GCE 2AEO 4MWK 2WTF 4OT4 3IWX 2R8J 1DDP 4N11 4RSZ 4DDB 4G4A 5L4R 2R8K 5N26 1DA5 4N10 6BS1 1DA4 3RE0 4S1Y 4RTE 5F9X 4G4B 4YEO 4DL6 4GCD 3TXF 4DL5 4GCC 4GCB 2I6Z 4DD6 3M9M 6BRX 3TXK 4TUS 1AIO 3O62 5ERJ 5A39 3TXG 4DL7 4EEY 1I1P 4Z46 4N0Z 1AU5 2NPW 1A2E 4TUR 1A84 1KSB 2R7Z 1CKT |
| NCP | 2AEO |
| I83 | 4QH3 4QGZ |
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
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- 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.