(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: B19
File name: alatis_output_compound.sdf
|
Formula: C12H22N2O7S1 Compound mass: 338.37640000000016 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 1.00
- Compound probability: 0.55
List of identified carbohydrate fragments:
-
C6H7N1O5
Fragment probability: 1.00
Fragment mass: 158.1317
Fragment main chain atoms: [7, 5, 17, 12, 9, 8]
Fragment all atoms: [7, 39, 18, 5, 35, 36, 17, 12, 6, 37, 38, 14, 21, 9, 41, 20, 8, 40, 19]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| B19 | 2H15 |
| 8UZ | 5NDW 5NDJ 5NDK |
| PAR | 4LF7 2WDG 4DR2 4ZC7 6AZ1 6AZ3 2MXS 1VVL 4TUE 5BR8 3BNQ 4X64 1IBL 4KX1 1FYP 4TUB 1XMQ 5NDV 5ZEJ 4KHP 2UXD 4WT8 4P6F 4QB9 4X65 5EL6 4LF8 4WOI 4DR4 3V6V 1VVV 1N33 4EJA 2VQF 4V5Y 5IB7 6MB7 4L71 2UU9 2VQE 1VY0 1VVJ 2Z4N 4V5D 2Z4L 2UXB 4JYA 2VQY 6CAO 4KWZ 4X62 1VXI 4TUD 1N32 4V51 3V6U 6MPI 4LT8 4WRA 1J7T 4LSK 4WSD 4LNT 2UUC 3UZ3 1VY2 4V97 3C44 2O3W 5IQR 4TUA 1XMO 2UUB 4V8F 6MKN 4V8J 1VVR 2WRN 4EJ9 3BNR 5TCU 4X66 5EL7 4L47 2UUA 4GKK 3UZL 4LEL 4V5C 3UZM 1XNQ 6MPF 3UZ4 4GKJ 1IBK 1VVN 3T1Y 4P70 2UXC 2WDM 3T1H 4W2C 1VXP 6DTI 2WDK 2J00 4V5G 2Z4M 2J02 4WUS 1VX8 2XQD 2Z4K 2WRQ 1XNR 4WCR 2WDH 1VXK 1VXM 1VVT 4V5L 1VXS 1VVP 4W2A 1FJG |
| B6M | 5WNU 5WNV 5WNT |
| RIO | 2N0J 2KXM 1S3Z 2ET5 5IQD 2FCZ 3DVV 3C3Z 1M4G 6C5U 2BUE |
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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