(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: AY9
File name: alatis_output_compound.sdf
|
Formula: C6H8O4 Compound mass: 144.12500000000003 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 1.00
- Compound probability: 1.00
List of identified carbohydrate fragments:
-
C6H8O4
Fragment probability: 1.00
Fragment mass: 144.125
Fragment main chain atoms: [4, 10, 3, 6, 5, 1]
Fragment all atoms: [4, 16, 2, 12, 13, 7, 17, 10, 3, 14, 15, 6, 9, 5, 8, 18, 1, 11]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| AY9 | 4A7Z |
| ASC | 3VXI 1E71 6JNH 3ZWI 1E73 4GPH 3TGY 3FXR 5D9W 4TVT 3EKA 6JOG 1F9G 4O7G 5JRA 3VLN 5ZLG 4O79 4CIP 2YLG 4RP9 4TWL 5JLI 1OAF 5ZOV 1XID 5JSL 1E72 2X08 5KKZ 4JTP 5JS5 6JMJ 2YLD 5JT4 4RP8 4GPC 5JCN |
| ISD | 5JCM 2POQ |
| GAD | 2FV1 5XQJ 5XQG 2FV0 1RWF 5Z6B 1RWC 5XQO 1RWH 2GH4 1RWG |
| KDB | 2R1W 3BPC |
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.