(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: RB
File name: alatis_output_compound.sdf
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Formula: Rb1 Compound mass: 85.4678 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 |
| RB | 1UD5 6BPG 6JXJ 6DOV 3E8B 1W5U 3MGR 6ARL 6ARG 4IBL 1SWZ 6JXI 1I0M 3KDP 6DPL 4E8P 3FB7 6DPP 6F3Q 1R3I 5AW6 6DPM 3HWB 2DWE 1I0N 1JVM 6HD9 5AW8 2GJ9 3C34 3B8E 4PDM 1SWY 4NGJ 1SX2 6DOW 3FB8 1SX7 6DOX 1DGE 5AW5 5AW7 1HXE 2HFE 4R8C 1NHH 460D 5AW4 6DOU 4JCA 4ILB 3GGK 6DPI 6DOT 1X2W 3JXD 461D 4Z3P 5YLV 2R35 5YCK 4NGI 3MKU |
| 7G4 | 5TOP |
| H76 | 4PCT |
| XYM | 3ASJ |
| FP1 | 2WG1 5HFA 2VQ6 4AXB |
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.