(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: S2H
File name: alatis_output_compound.sdf
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Formula: H2S2 Compound mass: 66.14580000000001 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 |
| S2H | 3T2Y 3T14 |
| S3H | 3SZF 3T0K 3H8L 3H8I 3T2Z 3T2K |
| S4P | 5YUL 6A9O 5YTU |
| H2S | 1E3D 3HYV 3HYX 3HYW 3PQ4 5X2X 3PQ3 4HPA 3T31 3P9Q 3KPG 3T14 5UCU 3O3N 3SY4 3SZW 3IIX 4KN9 3SXI 6RU9 3IIZ 1YQ9 5T61 3SZF 3PQ6 6I0R 3T2Z 3GIT 3KPI 3PQ2 4UPV 4JY8 3SX6 4M65 3PQ5 4WQ9 4UEQ 4AL2 5Z7F 1CAO 4WCX 3PQ7 5FF3 3PQ8 5JSH 4UQL 5JSK 3MMB 4JXC 5JT1 5T5I 3ZEA 3SYI 1VCK 5JSU 6RUC 3ZE7 4KL8 3SZC 4KO1 4KO3 1CC1 1MOH 4JYD 3T0K 6RTP 4UQP 5JSY 5X30 3O3M 5T5M 5FF2 6FEA 4JYF 4KO2 3KPK 1CRM 4AZ4 3T2Y 4KO4 3O3O |
| S5S | 3KPG |
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
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- 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.