(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: TZG
File name: alatis_output_compound.sdf
|
Formula: C12Cl1H13N2O6 Compound mass: 316.69390000000004 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 |
| TZG | 4DLD 3TZA |
| PPN | 6DQ1 6GXC 5BMM 6DQ0 5OGL 2WHH 1YTJ 3RCE 6AT0 |
| ZCL | 4TSZ 3Q4L 4NB3 5W5S 5W6T |
| FCL | 1OKW |
| NIY | 2H5U 2XAX 3ROL 4NDA 4BTZ 4B9R 4HHG 2XAY 2XAP 1SDA 2ADP 5AMC 2XAW 2XOF 3DIV 4HHW 2XAZ 1K4Q 2XAK 2XAV 4HIP 6CN8 |
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 NetwrokX library is used in the CTPIC source codes.
- The Open Babel software package is used in the CTPIC source codes.