(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: MAE
File name: alatis_output_compound.sdf
|
Formula: C4H4O4 Compound mass: 116.072 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 0.95
- Compound probability: 1.00
List of identified carbohydrate fragments:
-
C4H4O4
Fragment probability: 0.95
Fragment mass: 116.072
Fragment main chain atoms: [3, 1, 2, 4]
Fragment all atoms: [3, 5, 6, 11, 1, 9, 2, 10, 4, 7, 8, 12]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| FUM | 5NXA 5NX9 6HJ3 2E6D 1PJ2 2B7S 5BMM 2PTQ 1E39 1GZ4 5FYC 5XNZ 1PJ3 1UXI 4APB 6RX8 5BWD 1UXG 1QCO 1GZ3 1PJ4 3VRB 4LTE 5FXW 2B7R 5XMJ 5MST 2BS2 3U51 2EEO 5HW2 1QLB 1UXH 1M64 5BWE 1KSU 3R11 5FY7 1JRX 1LJ1 2CGO 2VD6 1JRY 3U4W 3TQ0 6UQN 3P4P 1JRZ 6G3F 5FY4 5FYH 6IEN 1P2E 5FY5 1KSS 1D4E 3SN0 6G3I |
| FMR | 4APB 1UXH 1UXI 2E6D 3TQ0 3P4P 1UXG 2VD6 2PTQ 2CGO 3R11 2BS2 3VRB 3SN0 2EEO 1QLB |
| MAE | 4L08 2D61 1TOK 2CST 1YAA 1BKG 1ASA 1AMR 2IPO 1ARI 1QIT 3QUS 1AY5 1AHY 1K7H 1ASM 1QIR 4GIS 1ASB 4FQ5 1ASG 1ASD 1AOG 1B4X 4FGM 3PZX 1QIS 3QB6 1GXF 1IX7 1ASE 2D7Z 5KTR |
| BEO | 6HJI 1LFO |
| CIZ | 5KTS |
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.