(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: DHB
File name: alatis_output_compound.sdf
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Formula: C7H6O4 Compound mass: 154.11990000000003 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 |
| DHB | 1YKN 1YKP 1YKL 3MV6 4PAF 3PCA 4RGX 4J0I 3O5U 5X1M 2BV0 2BSL 3LMX 1EOB 1B4U 2BUV 3HKP 4EYK 1N8Q 4FHT 5X1N 6JU1 1PHH 3WRC 5FAN 3DX5 |
| GDE | 3WR9 4IC0 4J0H 3WKU 3WRB 3WR3 3WPM 3WR4 4Z5X |
| 3HB | 3PCB 5I7I 5A3K 4Q6W 5HPI 4BK1 2DKH 4PAI 6O9A 3TUS |
| PHB | 4OD5 3R3A 2BUW 2PHH 5W1E 3ZYB 1D7L 4LKF 5M21 1TT8 1BKW 3PCC 3HGS 1CC6 1CJ2 4LKD 2BUR 1IUX 1K0I 1BGJ 4EVQ 1PXC 4LKE 1DOB 1BGN 1PXB 4F06 1CJ3 1IUV 1G1B 1CJ4 1Q4S 5IGA 3TYB 3HGR 5I5P 3R36 4EVS 1PXA 4EY3 6AL9 1CC4 1DOC 5D2A 1YKJ 1PDH 1IUW 1G81 1BF3 4E3G 1JD3 1PBE 1FW9 3T0N |
| DBH | 1L6M 4E5L 3U0D 3TF6 3T1D 3CMP 3I0A 2WHY 3BY0 3K3L 3SAO 1MDB 1MD9 |
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.