4L7C

Structure of keap1 kelch domain with 2-{[(1S)-2-{[(1R,2S)-2-(1H-tetrazol-5-yl)cyclohexyl]carbonyl}-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-1H-isoindole-1,3(2H)-dione

Summary for 4L7C

• Entry DOI: 10.2210/pdb4l7c/pdb
• Related: 4L7C 4L7D 4N1B
• Descriptor: Kelch-like ECH-associated protein 1, 2-{[(1S)-2-{[(1R,2S)-2-(1H-tetrazol-5-yl)cyclohexyl]carbonyl}-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-1H-isoindole-1,3(2H)-dione, ACETATE ION, ... (4 entities in total)
• Functional Keywords: stress sensor, kelch domain, kelch repeat motif, beta-propeller, nrf2, protein-small molecule complex, transcription-inhibitor complex, transcription/inhibitor
• Biological source: Homo sapiens (human)
• Cellular location: Cytoplasm: Q14145
• Total number of polymer chains: 3
• Total formula weight: 100736.19

Authors

Jnoff, E.,Brookfield, F.,Albrecht, C.,Barker, J.J.,Barker, O.,Beaumont, E.,Bromidge, S.,Brooks, M.,Ceska, T.,Courade, J.P.,Crabbe, T.,Duclos, S.,Fryatt, T.,Jigorel, E.,Kwong, J.,Sands, Z.,Smith, M.A. (deposition date: 2013-06-13, release date: 2014-02-19, Last modification date: 2023-09-20)

• Primary citation: Jnoff, E.,Albrecht, C.,Barker, J.J.,Barker, O.,Beaumont, E.,Bromidge, S.,Brookfield, F.,Brooks, M.,Bubert, C.,Ceska, T.,Corden, V.,Dawson, G.,Duclos, S.,Fryatt, T.,Genicot, C.,Jigorel, E.,Kwong, J.,Maghames, R.,Mushi, I.,Pike, R.,Sands, Z.A.,Smith, M.A.,Stimson, C.C.,Courade, J.P.; Binding Mode and Structure-Activity Relationships around Direct Inhibitors of the Nrf2-Keap1 Complex.; Chemmedchem, 9:699-705, 2014; PubMed: 24504667; DOI: 10.1002/cmdc.201300525

Experimental method

X-RAY DIFFRACTION (2.4 Å)