(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: GPX
File name: alatis_output_compound.sdf
|
Formula: C10H14N5O13P3 Compound mass: 505.16469999999987 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 1.00
- Compound probability: 0.32
List of identified carbohydrate fragments:
-
C5H6N1O4
Fragment probability: 1.00
Fragment mass: 144.10520000000002
Fragment main chain atoms: [5, 6, 9, 25, 3]
Fragment all atoms: [5, 36, 26, 6, 37, 27, 9, 38, 15, 25, 3, 35, 1, 32, 33, 24]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| GPX | 1CH8 1VJ7 |
| 23G | 6H9I 4C8Z 5CD4 4C9D 5H9E 3QRR 6IF5 6H9H 4QKA 4TVX 5H9F 1VY9 4QK8 4QK9 1VY8 |
| 9K9 | 5ZSM 5ZSL |
| G4P | 6CK4 4Y49 1Y0B 3N75 6PC1 4ZCM 2J4R 3VR1 6DMC 4XPD 4JKR 6G14 5VSW 6DMD 6D9S 1SMY 5TMC 4EDT 5U51 1LNZ 6GTM 5VOG 4JK1 6CZF 4HNX 6DME 5A9Y |
| G3D | 1R8Q 3KB2 1ZJ6 4C0A 1MR3 2HXS |
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.