4YFN

Escherichia coli RNA polymerase in complex with squaramide compound 14 (N-[3,4-dioxo-2-(4-{[4-(trifluoromethyl)benzyl]amino}piperidin-1-yl)cyclobut-1-en-1-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide)

Summary for 4YFN

• Entry DOI: 10.2210/pdb4yfn/pdb
• Related: 4YFK 4YFX
• Descriptor: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ... (8 entities in total)
• Functional Keywords: switch region, squaramide, transcription-transcription inhibitor complex, transcription/transcription inhibitor
• Biological source: Escherichia coli O139:H28 (strain E24377A / ETEC); More
• Total number of polymer chains: 12
• Total formula weight: 921148.86

Authors

Molodtsov, V.,Fleming, P.R.,Eyermann, C.J.,Ferguson, A.D.,Foulk, M.A.,McKinney, D.C.,Masse, C.E.,Buurman, E.T.,Murakami, K.S. (deposition date: 2015-02-25, release date: 2015-03-11, Last modification date: 2023-09-27)

• Primary citation: Molodtsov, V.,Fleming, P.R.,Eyermann, C.J.,Ferguson, A.D.,Foulk, M.A.,McKinney, D.C.,Masse, C.E.,Buurman, E.T.,Murakami, K.S.; X-ray Crystal Structures of Escherichia coli RNA Polymerase with Switch Region Binding Inhibitors Enable Rational Design of Squaramides with an Improved Fraction Unbound to Human Plasma Protein.; J.Med.Chem., 58:3156-3171, 2015; PubMed: 25798859; DOI: 10.1021/acs.jmedchem.5b00050

Experimental method

X-RAY DIFFRACTION (3.817 Å)