(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: APC
File name: alatis_output_compound.sdf
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Formula: C11H18N5O12P3 Compound mass: 505.2075999999999 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 1.00
- Compound probability: 0.32
List of identified carbohydrate fragments:
-
C5H8N1O4
Fragment probability: 1.00
Fragment mass: 146.121
Fragment main chain atoms: [7, 8, 11, 27, 5]
Fragment all atoms: [7, 39, 17, 44, 8, 40, 18, 45, 11, 41, 16, 27, 5, 38, 1, 32, 33, 26]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| APC | 5DEE 4GR5 6GYX 2VHC 5LM3 5TV8 3G5A 3AMU 1YBU 5F2V 5Z79 4M5H 1TUM 2PPB 5ETQ 4U0Z 4A3E 1S26 3N0Y 1WC0 3ILO 6C02 4M5G 1WC4 5OF3 3MCO 6EWZ 1JGT 4I2E 4CLK 4I2D 2QX0 1S76 5CFS 6FGX 6MFW 1W4A 2BW7 4CLW 5ETR 4DPG 4M5M 3KUH 1S0V 4IZ9 3LPN 1WC3 6FPE 6S84 1TMM 6GR1 1WC5 2C5U 5ETS 4EWV 4X4V 4BY1 5ETM 1N2G 1NUS 5ETO 4YXJ 2YYE 4S2X 3OVA 4BLS 1Q19 6N67 6E0L 6GP8 3NBA 2ZT6 4L39 1NUT 4CYU 4RWN 1RU2 4OYX 4X4U 1F9H 4M5I 3SEQ 6BLP 2O5J 4BLT 1W48 5ETV 4USU 5ETT 6E0N 5ETP 5ES7 3IP0 3HD2 1RU1 4I2B 4M5N 3DAY 5CFT 1W49 3VES 4Q85 5Y0Q 4CM0 3HSG 3H9J 3VTH 1N2B 4X4R 4CRJ 2X3F 1KNY 6GQR 3HT0 4S2Y 4M5L 4I2H 1IH8 1N2E 5XOG 6MFX 4RWO 4WC2 4A3M 3JZ0 1HQ2 2PZ8 4M5J 4A3L 4A3F 1VFG 5IV3 4CWB 1Q0N 4M5K 3HD1 5ETK 3ILJ 4I2C 6D1V |
| F2A | 3ISD 4FO6 3C2L 3UQ1 4GXK 5BPC 3C2M 4F5P 3RJF |
| 8BU | 5XP5 |
| A12 | 3ZU0 1HPU 1MR2 4MAM 4H2I 3DGR 4XYM 6GQS 6GPT 6GPH |
| AP2 | 3VTH 3FD5 5FIT 5FC6 1DKU 1AV5 2VQD |
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.