(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: ETD
File name: alatis_output_compound.sdf
|
Formula: C2H2 Compound mass: 26.0372 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 |
| C2H | 6BBL |
| ETD | |
| H1W | 6HWR |
| I42 | 3B5Z 2I42 |
| VO4 | 3OMX 1MU9 1BO6 3MGV 1RPT 1VNF 5I0I 1VNH 1UZI 4E7Z 5HMP 3PUV 2I4E 3P20 3Q8Y 6PHA 1RG2 6PGT 2AZD 5AA6 3GW8 2QWM 1RFI 6PG0 4RI4 3B5Z 5BZX 4CIT 1J9L 2V26 2G8H 1RGT 2GSO 1RFF 4E7S 3BZ7 1LKX 1VNI 3QCD 6PM8 3MKD 4ZN5 2D1G 3F9B 2HY3 6DR7 3GP5 4DZ6 1YV3 3W36 1NOP 2F43 3P2U 1IDQ 1VFZ 5OFR 2V6E 5N69 1IDU 4DBR 4USZ 3IGC 1RGU 4ZG4 4E0G 1VOM 3I80 4ZI4 3S3F 1DFL 6I7E 1Z12 1VNG 1RH0 4KNW 3BZ9 2I42 3T00 3QKQ 1VNC 2JLX 3I7Z 1VNE 6PHS 3QCC 3ZWU 1RG1 3RNT 1QVI 3MYH 3BZ8 6DT6 6NPZ 5JNW 2B9S 1QI9 |
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
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- 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.