6R1P
EthR ligand complex
Summary for 6R1P
Entry DOI | 10.2210/pdb6r1p/pdb |
Descriptor | HTH-type transcriptional regulator EthR, 2-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,3-triazol-1-yl]ethyl]-6-methyl-1~{H}-pyrimidin-4-one (3 entities in total) |
Functional Keywords | transcriptional regulator tuberculosis tetr inhibitor, dna binding protein |
Biological source | Mycobacterium tuberculosis |
Total number of polymer chains | 1 |
Total formula weight | 24121.05 |
Authors | |
Primary citation | Tatum, N.J.,Duarte, F.,Kamerlin, S.C.L.,Pohl, E. Relative Binding Energies Predict Crystallographic Binding Modes of Ethionamide Booster Lead Compounds. J Phys Chem Lett, 10:2244-2249, 2019 Cited by PubMed: 30965004DOI: 10.1021/acs.jpclett.9b00741 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.8 Å) |
Structure validation
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