Brand  (β version)

PDB ID: 5FZN

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Ligands
Code Name Style Show Link
FB2 Benzenesulfonamide PoSSuM
SO4 Sulfate ion PoSSuM
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Structure summary

Code : 5FZN   PDBj   RCSB PDB   PDBe
Header : INHIBITOR
Title : Structure of the Keap1 Kelch domain in complex with a small molecule inhibitor.
Release Data : 2016-04-13
Compound :
mol_id molecule chains synonym
1 KELCH-LIKE ECH-ASSOCIATED PROTEIN 1 A CYTOSOLIC INHIBITOR OF NRF2, INRF2, KEAP1
fragment: KELCH DOMAIN, UNP RESIDUES 322-624
Source :
mol_id organism_scientific organism_common expression_system
1 MUS MUSCULUS  (taxid:10090) HOUSE MOUSE ESCHERICHIA COLI  (taxid:562)
Authors : Davies, T.G., Wixted, W.E., Coyle, J.E., Griffiths-Jones, C., Hearn, K., McMenamin, R., 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., Podolin, P.L., Yan, H., Callahan, J.F., Heightman, T.D., Kerns, J.K.
Keywords : INHIBITOR, KEAP1, NRF2, OXIDATIVE STRESS
Exp. method : X-RAY DIFFRACTION ( 1.97 Å )
Citation :

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.

Davies, T.G.,Wixted, W.E.,Coyle, J.E.  et al.
(2016)  J.Med.Chem.  59 : 3991

PubMed: 27031670
DOI: 10.1021/ACS.JMEDCHEM.6B00228

Reaction

Chain : A
UniProt : Q9Z2X8 (KEAP1_MOUSE)
Reaction : -