(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: S70
File name: alatis_output_compound.sdf
|
Formula: C4H10O9P2 Compound mass: 264.0640000000001 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 0.75
- Compound probability: 0.47
List of identified carbohydrate fragments:
-
C4H6O3
Fragment probability: 0.75
Fragment mass: 86.089
Fragment main chain atoms: [1, 3, 4]
Fragment all atoms: [1, 16, 17, 13, 3, 20, 5, 21, 4, 2, 18, 19, 6]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| S70 | 1QXS |
| G3H | 5TKC 3CEP 1QI1 1UXU 3LC2 1C7Z 2ESD 4I3W 1NQO 5TK3 5JYA 5FF7 5UCK 1GLD 5UD0 3CIF 1GLC 3O07 1NQA 3CMC 2QE0 1M7P 2OKG 1UOD 3QRH 5UCP 1Z82 2CLK 4ZEX 6HUL 1GLE 5TKL |
| E4P | 1U0G 1IRI 1RZM 1FWT 3S1U 1NGS 5XU9 5XPS |
| 3PG | 3C3A 2XE8 13PK 1EJJ 3KV3 1IIH 2YBE 2VFI 3KSZ 2JDD 1VPE 4GWK 2VFG 2WZC 1AA1 2X15 2A9J 4Y6N 6HXE 2ABM 3L4S 4Y9X 2X14 3E25 2CUN 3FJG 1QHF 2WZB 2Y3I 5M6Z 3IGY 2X13 2VFH 6CWA 3UWW 2F90 1KF0 1HDI 3ZOZ 5Y79 3PGK 2WZD 3IGZ 5XSF 4DEC 3PGM 2HHJ 3GP5 1RUS 5JQX 5VPU 3C39 4NWJ 5I4M 2X2G 3C3C 5NP8 2H52 4AXX 2VFE 2XE6 5M3U 1QPG 1M7O 2PAA 4O3F 2P9T 2H4X 3FDZ 4NJM 5MXM 4O33 4Y6U 2XE7 |
| MP3 |
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.