(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: W
File name: alatis_output_compound.sdf
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Formula: W1 Compound mass: 183.84 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 |
| W | 4Z3X 4Z13 5EJK 4PE5 5T61 3FYH 2OGX 4Z3W 1XDY 4Z12 4Z3Z 4Z3Y 5ERV 5T5I 3LR1 4Z40 3D6A 1H0H 5T5M 4YZS 2E7Z |
| 6WO | 1E18 |
| WO5 | 1V0R |
| WO6 | 2RB5 2RAV |
| WO4 | 3CG1 2IVO 1H9K 5LZR 1CKJ 3PSA 2E6B 1Z7M 3H1C 2AKC 3E84 1FR3 2ONK 2USH 1DKO 2I34 2I6M 1Z26 1MU7 1E3P 1GUG 2HNQ 3KBP 3CFX 2OYC 3C7T 5C66 2HCM 1YTW 1U7P 1FEZ 3D31 5JKI 6DRB 1BYS 3RVS 4RXL 3CFZ 1J9K 5ERV 3NVB 3F9A 1H9R 5VJW 1CWS 3CIJ 1OHD 3CG3 3ET5 6FMX 1UJC 1ATG 4GGK 1LGP 1WOD 2ONS 6ETH |
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.