(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: NVZ
File name: alatis_output_compound.sdf
|
Formula: C12H18N2O4S1 Compound mass: 286.34660000000014 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 |
| NVZ | 3VGW |
| BH7 | 1LEL 1LCZ |
| VHH | 3VHH |
| BTN | 6M9B 3WYQ 1SWG 4Z28 6J6J 3SZJ 4GGZ 1SWE 2DTH 1SWN 4IRW 1VQN 2BDO 4MFE 2JGS 1WBI 1DF8 2EJG 4BCS 3G8C 1LUQ 2F01 4YVB 3T6F 3WYP 6BI2 3EW2 1NDJ 4BBO 6AUL 2IZI 2ZGW 1BDO 4DVE 2UYW 2IZF 2RTD 1SWR 1NQM 1STP 2EJF 2AVI 4LOC 2GH7 1HXD 2IZG 3IB9 2RTF 4JNJ 1XNY 1MK5 4Q96 6HDT 1MEP 1Y55 2C1Q 5L20 4BJ8 2C4I 2ZSC 1N9M 2DXT 1BIB 2FYK 1SWD 3O34 1SWT 4GDA 1F27 4EKV 1SWP 2Y3F 6NJZ 3EFS 1SWK 3MG5 4GD9 1N43 3D9L 2RTG 3RKY 1VQ6 1KQS 2IZJ 3RY2 1Y52 1AVD 5VYW 2EJ9 2RTE 2IZH 3WZN 2DTO 6NKP 1WPY 4WVP 3RDM 3EFR 3V8K 2B8G 3RDO 3T2W 4Q6S 2UZ2 |
| BTQ | 1SWP 2F01 1SWK 2GH7 |
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.