(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: E8N
File name: alatis_output_compound.sdf
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Formula: C9H18 Compound mass: 126.23850000000012 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 |
| E8N | 6FVK 6FW1 6G0M 6G3L 6G23 6FVP 6FWE 6G1J 6G3M |
| ADM | 4CPP 4LKL 3CP4 |
| CAE | 5UDA 6CPP |
| LFA | 4XTN 6RF4 6SQG 6RF5 4PXK 6SU4 6RFC 6REW 6REX 5W39 6REZ 5MX2 3QDC 5JJJ 6RF6 6RF1 5JJF 5JSI 6RF9 4XTL 6RF3 6SU3 6RFB 3RKO 6RF7 4HYJ 4MND 4XTO 5IJI 3QAP 4XXJ 6RF0 6RFA 1Z4A 5JJN 5O0T 5JJE 4GYC 6EYU 1Q90 5W3C 6H5A 5JRF 5W3B 6EIG 5W17 5W37 5JEF 5W3A |
| UPL | 1LSH 6HJP 6HJN 6H53 |
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.