(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: HMU
File name: alatis_output_compound.sdf
|
Formula: C5H6N2O3 Compound mass: 142.1125 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 |
| HMU | 1OE6 5C3R 4FNC |
| 5CU | 4LAM 4LAL |
| TDR | 4QSU 4HN1 4MZU 4TXM 2HRD 2O5C 2HN9 2J0F 3FS8 4OGL 2O5E 4O9E 5C3Q 6K8P 1TPT 1IQU 3RO7 |
| FYU | 5C3S |
| URA | 4LZB 3QPB 5LHV 4HK7 4WRV 5GNW 5ILX 3SLF 3KVY 5MIW 5XLS 2XRF 1Y1S 1OE5 2EUG 1JLS 2RJ3 4TXL 1TGY 6K5H 1FLZ 4OEH 4KPV 6IOC 4YJK 1BD4 3CXM 4SKN 6IOB 5Y48 3PNS 3LOC 1Q3F 1UDH 4YIG 4WPL 1UCD 1WS3 4JYK 4YGM 6IOA 4FPZ 1SSP 4WRU 5EUG 3BJE 1UI0 6AJR 3QE7 4ZBY 1EMJ 1KSL 5WAN 1GTH 1BRW 1KSK 6AJO |
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.