(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: 5BU
File name: alatis_output_compound.sdf
|
Formula: Br1C9H12N2O9P1 Compound mass: 403.0768999999999 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 1.00
- Compound probability: 0.45
List of identified carbohydrate fragments:
-
C5H8N1O4
Fragment probability: 1.00
Fragment mass: 146.121
Fragment main chain atoms: [6, 5, 4, 21, 8]
Fragment all atoms: [6, 28, 14, 32, 5, 27, 13, 31, 4, 26, 2, 24, 25, 20, 21, 8, 29, 12]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| 5BU | 406D 1F1T 2FD0 2AO5 3BNO 3BNR 3BNS 4P5A 2B63 3BNQ 4X4T 2FCY 1KH6 2OEU 2ANR 3P59 2AZ2 5XWG 2AZ0 3I5Y 2FCZ 3TD1 2R20 2R1S 3LWO 2FCX 3TD0 3O8C 1RLG 4P3U 1ZCI 3ZD5 1JZV 3O8R 2JLT 1Y3S 2PN4 1JID 5VJB 2R21 2BU1 3BNT 2PN3 2GOZ 1Y3O 5V1K 5UX3 2QCG 1YXP 4P3T 3IBK 3MEI 3LOA 3S2D 1Y90 4P3S 1KFO |
| UBR | |
| BRU | 2H05 1O27 3HOZ 3VAL 1DP7 4I2A 1I3W 1D9R 2AVJ 1GQU 6IYQ 1UNM 3VAG 5VBJ 1R71 1J6S 2W7N 2JA7 2OBZ 1K8P 4E10 1CS7 3VAJ 1WTP 1UNJ 1A35 4RIP 6TZR 5SWM 1KDH 1SM5 1D3R 2VUM 1FYL 4XNO 2FCC 5W1Z 3I4N 3OH6 1AWC 4BY7 3HOW 1DA1 2AF6 4A3K 5MVL 4NOD 3VAH 3IL2 2W36 3OH9 4TU7 3LWP 4A3M 344D 3HOU 3VWB 3VAF 1DCR 4A3J 4A3B 2JA6 3HOX 4A93 4G7Z 1JXL 1ZET 1AIO 1P1Y 4P5B 5OT2 3QXR 5YTZ 3BS1 5EV1 3TQ6 3PO2 1JPQ 3VAK 4A3D 4TU8 4A3C 3VAI 1K3X 4BXX 3GDD 115D 366D 1IHA 3PO3 3KDE 2JA5 4A3F 1FN1 3OGD 4BY1 3I4M 4A3G 3VAM 3QSC 2GPX 4TU9 3H40 1P54 5EV2 3HOY 4V1M 2JA8 3H4B 4A3E 4A3I 165D 2ORF 2ORG 5EV3 2DLJ 3HOV 3H4D 4A3L 5EV4 |
| U25 | |
| 0U | 2GQ6 2G32 4WB3 4R8I 4WB2 2GQ4 2GPM 2GQ5 2GQ7 1R3O |
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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