3DAT

Crystal structure of the ternary MTX NADPH complex of Bacillus anthracis dihydrofolate reductase

Summary for 3DAT

• Entry DOI: 10.2210/pdb3dat/pdb
• Related: 2QK8
• Descriptor: Dihydrofolate reductase, METHOTREXATE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... (4 entities in total)
• Functional Keywords: dual-site inhibition, oxidoreductase, pseudo-rossmann fold, adenine nucleotide binding domain
• Biological source: Bacillus anthracis str.
• Total number of polymer chains: 1
• Total formula weight: 20348.71

Authors

Bennett, B.C.,Dealwis, C.G. (deposition date: 2008-05-30, release date: 2009-04-14, Last modification date: 2023-08-30)

• Primary citation: Bennett, B.C.,Wan, Q.,Ahmad, M.F.,Langan, P.,Dealwis, C.G.; X-ray structure of the ternary MTX.NADPH complex of the anthrax dihydrofolate reductase: a pharmacophore for dual-site inhibitor design.; J.Struct.Biol., 166:162-171, 2009; PubMed: 19374017

Experimental method

X-RAY DIFFRACTION (2.3 Å)