(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: N5C
File name: alatis_output_compound.sdf
|
Formula: C9H15N4O16P3 Compound mass: 528.153399999999 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 1.00
- Compound probability: 0.31
List of identified carbohydrate fragments:
-
C5H8N1O4
Fragment probability: 1.00
Fragment mass: 146.121
Fragment main chain atoms: [6, 5, 4, 27, 8]
Fragment all atoms: [6, 38, 15, 43, 5, 37, 14, 42, 4, 36, 2, 34, 35, 26, 27, 8, 39, 12]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| N5C | 3BSN |
| HF4 | 6DW3 |
| CTP | 1UEU 1XTU 3RH6 4DQQ 5A2X 3Q7U 1RAF 4FYY 4WC5 4FHV 1TFY 4COJ 3WFR 3OVS 5EOM 2ZHA 4K6S 1ZA1 4FYW 1WVC 5WZY 5U3C 2OH7 4DQR 1RAB 2FZG 5U6R 4DQS 4J6W 1RAH 1MIY 4WC7 6CKK 3JB7 4ATB 4KH1 2FZK 4XSV 3K8D 5TKV 5AXU 1COZ 1RAA 2DVI 1TWG 6E06 3IEW 1RAI 6BWQ 4KGX 1ZA2 8AT1 4JT2 4WC1 6AK6 6RH3 5TRD 5AXV 4WOP 1RAG 1VPA 2Y6P 1RAE 4X4S 5AT1 6CVE 2AD5 5EWF 5D4D 5TFD 2BE9 5GQI 1R89 5GUF 1U7W 6E05 4X4O 5HS2 4X4Q 6P1U 2XWN 3FC9 1I52 5F8I 5GQJ 4FWS 4DSE 1RAC 3M9N 4ZDQ 4QJI 2FZC 5BO7 1RAD 3H5Y 5D4C 1GQ9 2Q0C 2IM1 4F2R 5GQM 4HOR 3RH4 3FPI 5EWE 1UDW 1H7G 4F2S 5EXZ 3BSO 3LZJ 2OH5 5GQL 6QCV 4DSF 4EE1 1KFD 6IG2 5EXY 3M9M 2OH6 4ZZ6 3H3A 1TUG 2XWL 2IM0 2DR8 |
| N5M | 3BSN |
| CDF | 2VSI |
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.