8CCM

Crystal structure of Mycobacterium smegmatis thioredoxin reductase in complex with Compound 2-06

Summary for 8CCM

• Entry DOI: 10.2210/pdb8ccm/pdb
• Descriptor: Thioredoxin reductase, FLAVIN-ADENINE DINUCLEOTIDE, ~{N}6-(4-aminophenyl)-1,2-benzothiazole-3,6-diamine, ... (8 entities in total)
• Functional Keywords: trxr, oxidoreductase
• Biological source: Mycolicibacterium smegmatis MC2 155
• Total number of polymer chains: 1
• Total formula weight: 36036.31

Authors

Fuesser, F.T.,Koch, O.,Kuemmel, D. (deposition date: 2023-01-27, release date: 2024-02-07)

• Primary citation: Fuesser, F.T.,Kuemmel, D.,Koch, O.,Otten, P.,Junker, A.; Fragment-based design of mycobacterial thioredoxin reductase inhibitors based on computational exploration of a huge virtual space; To Be Published,

Experimental method

X-RAY DIFFRACTION (1.73 Å)