(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: DTN
File name: alatis_output_compound.sdf
|
Formula: O4S2 Compound mass: 128.1276 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 |
| DTN | 4RKN 6EHS 1FT6 |
| THJ | 3W1J 1CQD 3WCO 3GED 2PNS 4WQE 1Q0K 4XEZ 2B94 2WDE 5LO9 6ASM 4V2K 3FO3 4XFF 6AT3 6AT4 6AT2 5I0S 1JEC 1O0E 3S4O 3WCN 5I0T 4WQ9 5EZW 1IWD 4WQC 3GEG |
| SFO | 4COL |
| SO3 | 1LTD 2V4J 4WQE 2VVI 4E5K 2VVJ 2VVH 3VLY 1VYB 3LMV 4LJC 5B5G 3VLZ 3OR1 4KPR 4R6B 2D2X 1K0L 4WQB 4LJB 3FO3 1I9D 2GAG 2XSJ 3HBP 4Q5B 3P8U 3L1T 2ORO 3F29 4LJD 3OR2 1WMG 1J3M 3IOX 3LSM 3TMR 4Q5C 2X5O 3NKE 4PAN 4Q4U 4RKN 2HCI 2C3J 5CH7 3LGQ 3BNJ 4CLW 3LG1 1JNZ 4Q6H 1URH 2V3P 6GL6 1YT8 4PAM 2Y66 3MM5 4HTR 6I2V 4N0D 1JZW 2GRU 1TLL 5CHC 2VQ2 1K0I 1DD7 1R8S 3TTB 5A6T 2CBD 6C1W 1OKG 2XUP 4MTM 4CM2 3BNF 6HSE 3ADA 2HZ1 2GEP 1EAF 1FT6 5DUQ 2E1D 4WQA 5CAC 2PCJ 5B5S |
| SFN |
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.