(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: ORD
File name: alatis_output_compound.sdf
|
Formula: C5H12N2O2 Compound mass: 132.16050000000004 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 |
| ORD | 1DSR 5F1W 6CAE 4K7T 4FFN |
| MD0 | 3T7V |
| ORN | 6DR4 5HOX 4P4Z 3NI3 4NTR 5V65 6DR5 3Q9J 4P4W 1T5M 6E5I 4P4V 4NTP 3Q9G 1N0X 4E0M 5SUU 4P4Y 4WC8 1HTH 4NW9 5BMM 5VF1 3S61 4CEV 5UHR 1C30 5SUT 1M6V 4P4X 4Q42 4E0O 4E0L 4IU5 6B35 5F1T 3Q9I 6B34 6CG5 1T5N 3T4G 5W4H 2M7I 5YB7 6CG4 5SUR 5HOW 4NW8 4Q8D 1KEE 6DR6 4IVH 1JDB 1TK2 1CE8 5W4I 4E0N 5W5S 4TLZ 3Q9H 4NZH 1HQG 1CS0 4TLX 4M6E 5W4J 5W6R 1C3O 1BXR 5V63 5SUS 1A9X 5HOY 5HPP 1T36 5CKU 6C1Q 4TM0 4B67 2W6U 6CG3 3THJ 3JDW 3VVD 5V64 5W5U 1X7D 5ZEH 5W6U 2PM5 4X0S 3GMZ 1B2H 3IT6 4ZQW 5W6T 1XT7 2W6T 4B63 6C1R 4B69 1LAH 4GW2 3IDJ 6CK2 5W6I |
| XFW | 4UQ3 |
| DAV | 4GRX 1H7O 7JDW 5HNR |
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.