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, Last modification date: 2024-11-20)
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)

Structure validation