5FNQ

Structure of the Keap1 Kelch domain in complex with a small molecule inhibitor.

Summary for 5FNQ

Related5FNR 5FNS 5FNT 5FNU
DescriptorKELCH-LIKE ECH-ASSOCIATED PROTEIN 1, 3-(4-CHLOROPHENYL)PROPANOIC ACID (3 entities in total)
Functional Keywordstranscription, keap1, nrf2, oxidative stress
Biological sourceMUS MUSCULUS (HOUSE MOUSE)
Cellular locationCytoplasm  Q9Z2X8
Total number of polymer chains1
Total molecular weight33546.92
Authors
Primary citation
Davies, T.G.,Wixted, W.E.,Coyle, J.E.,Griffiths-Jones, C.,Hearn, K.,Mcmenamin, R.L.,Norton, D.,Rich, S.J.,Richardson, C.,Saxty, G.,Willems, H.M.G.,Woolford, A.J.,Cottom, J.E.,Kou, J.,Yonchuk, J.G.,Feldser, H.G.,Sanchez, Y.,Foley, J.P.,Bolognese, B.J.,Logan, G.A.,Podolin, P.L.,Yan, H.,Callahan, J.F.,Heightman, T.D.,Kerns, J.K.
Mono-Acidic Inhibitors of the Kelch-Like Ech-Associated Protein 1 : Nuclear Factor Erythroid 2-Related Factor 2 (Keap1:Nrf2) Protein-Protein Interaction with High Cell Potency Identified by Fragment-Based Discovery.
J.Med.Chem., 59:3991-, 2016
PubMed: 27031670 (PDB entries with the same primary citation)
DOI: 10.1021/ACS.JMEDCHEM.6B00228
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (1.91 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.218401.7%2.4%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution