(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: 33S
File name: alatis_output_compound.sdf
|
Formula: C9H10I1N1O2 Compound mass: 291.0853 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 |
| 33S | 4TQD |
| IYR | 2D98 5V7F 3TNZ 4TVC 1XXZ 2ZP1 2D8W 2D97 1XY9 2ZXV 4EBK 1WQ3 4TTC 5KO8 5EMS 3VN3 2R1Q 4TVD 1CF0 4TTU 2Z10 4IKM 5EHB 6JQA 3GFD 2D8P 2Z11 2D8O 6D0Y |
| IOY | 5F1W 1XBU |
| PHI | 4NW8 4P4X 3R3K 5F1T 4WC8 4P4Z 4DZL 5V65 5EOJ 5KIO 3R4H 1TF9 5E5T 4NTP 1ORW 4X0S 4P4W 4JIJ 5W0J 5V63 4P4V 4H8G 4DZN 5VF1 4P4Y 5HOW 5VTE 6NEP 1NLU 4DZM 1GA1 5HPP 5E5Y 6CG3 4H8F 4Q8D 3RA3 1GA4 6EQL 1CZI 5KIM 5V64 1T6H |
| TYI | 2D8W 2C3V 3GH8 6JQA 4PGC 2D8P 4TVC 5N1C 1L0S 4IKM 4TVD 4TTU 2NOO 2VLW 2AXE 2D98 2D97 1CTP 2D8O |
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 NetwrokX library is used in the CTPIC source codes.
- The Open Babel software package is used in the CTPIC source codes.