(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: TTN
File name: alatis_output_compound.sdf
|
Formula: C3H2O5 Compound mass: 118.0449 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 0.76
- Compound probability: 1.00
List of identified carbohydrate fragments:
-
C3H2O5
Fragment probability: 0.76
Fragment mass: 118.0449
Fragment main chain atoms: [2, 1, 3]
Fragment all atoms: [2, 5, 6, 1, 9, 4, 10, 3, 7, 8]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| TTN | 1O0S 1EFL 1GZ4 4M6U 5TU0 5IQJ |
| 8A1 | 5UI9 |
| DGY | 2GCG 2BO6 4WVC 3VAZ 5AOW |
| MAK | 1EFK 5MDH 2BEX |
| MLA | 2FAH 3H09 3WUC 2VLP 2APX 5GW8 6G1I 4HUP 5C8W 6UP9 6J4K 6OMW 1O9P 3SAY 2VLQ 6ISK 1S0Y 6DUA 6A5Q 5W8J 5W8K 4C6T 3K3S 4PXO 3IPI 6DWE 5XYR 1E7P 3KL0 4Z9S 5JSD 2APV 5DDG 3V1L 5X18 3HSS 6HGH 5JS4 5EEL 6E9P 2ZBB 1T0F 5V6Q 1RD5 5KVU 5JSE 5L2R 4M5P 5KU7 4PDD 3TFG 2Q3M 3V7N 3OQ8 1OCL 3S29 4LH1 4QXW 2FW0 3CZA 1NU4 3TFD 6FCO 6NLW 4MZY 4BX9 5AA5 6HJB 6QL3 4BKH 2QAD 3TFE 3S28 6UB9 6MWK 3TJL 3S27 3HYS 6UOI 1WOM 2BRV 4Q2B 1S7F 3W8F 4HV3 6UQ8 1PQH 3IH5 2APB 1Q44 4CKQ 4HWH 6UQB 2VLN 2ID4 4KRT 6DU1 5FPZ 4MA4 5ZW8 1YS4 4M6M 4JQH 6E5Y 3S42 1OBL 2WAL 5FHP 6AGT 3KED 2APF 3BF8 4DF2 6IIQ 3FSS 5W8H 4C2O 5LL4 3TFF 3HZO 5VIS 1S1F 2F8A 2APT 6UAP 5JLZ 4PQ0 3UPW 4MX1 3EIF 4WJM 3V1K 4R4U 4JOC 5KYC 4PX1 5HGZ 4GIS 2APW 1O4M 5W8I 4KV8 3E4P 4B0N 5B4U 4WWQ 3PF7 4WW6 2G2Z 3G26 3V1N 5LAX 6HMR 4HV7 4IQ2 3SGW 4K90 6DW2 5L92 |
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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