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	Pohl, E.,Tatum, N. (deposition date: 2019-03-14, release date: 2020-02-19, Last modification date: 2024-01-24)
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: 30965004 DOI: 10.1021/acs.jpclett.9b00741 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.8 Å)

Structure validation