(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: AZG
File name: alatis_output_compound.sdf
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Formula: C4H4N6O1 Compound mass: 152.11400000000003 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 |
| AZG | 4HRW 1V41 4HRQ |
| A45 | 1RRI |
| AEY | 5WDJ |
| 9MG | 4J7N 5U0W 5FAR 4DWI 4LC5 1RRW |
| AZA | 4XFP 3CKU 2IBA 5Z2B 2YZD 2ZKA 5YJA 3PKG 1VAY 1J2G 3PKT 2IC0 5Z27 5Z29 5Z2A 5YJ2 3PK8 3PLM 5UTJ 2FUB 3P9F 3WLV 3PLI 3PK6 3PJK 3CKS 3BK8 3F2M 3PK5 3PKU 5Y52 5Y2P 2ZKB 3PK3 2ICQ 4OP9 3PLH 2H0F 3PK4 4N3M 3PLJ 4OP6 3PKL 1R51 4N9V 3PLE 3PKK 3PKF 5FRC 3PKH 3PKS 2PES 3PLG 3GKO |
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.