(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: SIC
File name: alatis_output_compound.sdf
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Formula: C7H10N2O4S1 Compound mass: 218.22990000000007 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 |
| SIC | 3DIP |
| SUI | 2OWX 1GVU 1GVW 3URL 2VS2 3URJ 1OEW 2JJJ 3URI 2OWW 1GVT 1OEX 1GVV 2OWC 2JJI 1GVX 1GKT |
| KGT | 4HGD |
| 0P0 | 1AQW |
| GTT | 1B4Q 2F8F 3GRX 1LJR 2DSA 2E7P 3PR8 2WYO 2GDR 1GRX 6GSS 3CSI 2X99 3KM6 1PKW 2ON5 1K0D 2X64 3RHC 2PNO 6GST 1K0C 3I6A 1F2E 3GUS 1K0A 3CSH 3M3M 1SS4 1HNL 19GS 7GSS 1UW3 5GSS 1FLJ 1K0B 3LFL 1GSY 3N5O 2PMT 3IR4 3PPU 3H4K 3EIN 1GSE 3TOU 1KBN 3UBL 3IE3 3GSS 1UA5 3EE2 3KMO 1PD2 3I69 1TU7 2WUL 1GSA 11GS 3GUR 1GSN 3FZ5 2HNL 2YAN 6GSY 3HJO 1ZL9 1OYJ 3PCV 8GSS 2NTO 3G5S 1JZR 3DD3 1QH5 1DNC 2H8A 1K0N 2X8H 3MSZ 3RHB 3IBH 2R4V 3KHQ 3L4N 3KN3 3GH6 3MAK 2PVQ 2UUH 1PMT |
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.