6R1S
EthR ligand complex
Summary for 6R1S
Entry DOI | 10.2210/pdb6r1s/pdb |
Descriptor | HTH-type transcriptional regulator EthR, 2-(3-methylphenyl)-~{N}-[[2-(oxan-4-yl)-7-oxidanyl-pyrazolo[1,5-a]pyrimidin-5-yl]methyl]ethanamide (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 | 24162.15 |
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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