5WHL

Kelch domain of human Keap1 bound to inhibitory small molecule fragment: hydroxyphenyl propionic acid

Summary for 5WHL

• Entry DOI: 10.2210/pdb5whl/pdb
• Descriptor: Kelch-like ECH-associated protein 1, HYDROXYPHENYL PROPIONIC ACID, SULFATE ION, ... (4 entities in total)
• Functional Keywords: scaffold, inhibitor, fragment, transcription, transcription-inhibitor complex, transcription/inhibitor
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 2
• Total formula weight: 74252.71

Authors

Carolan, J.P.,Lynch, A.J.,Allen, K.N. (deposition date: 2017-07-17, release date: 2018-09-19, Last modification date: 2023-10-04)

• Primary citation: Zhong, M.,Lynch, A.,Muellers, S.N.,Jehle, S.,Luo, L.,Hall, D.R.,Iwase, R.,Carolan, J.P.,Egbert, M.,Wakefield, A.,Streu, K.,Harvey, C.M.,Ortet, P.C.,Kozakov, D.,Vajda, S.,Allen, K.N.,Whitty, A.; Interaction Energetics and Druggability of the Protein-Protein Interaction between Kelch-like ECH-Associated Protein 1 (KEAP1) and Nuclear Factor Erythroid 2 Like 2 (Nrf2).; Biochemistry, 59:563-581, 2020; PubMed: 31851823; DOI: 10.1021/acs.biochem.9b00943

Experimental method

X-RAY DIFFRACTION (2.5 Å)