Structure of PDB 6qmd Chain A

Receptor sequence

>6qmdA (length=289) Species: 10090 (Mus musculus) [Search protein sequence]

GRLIYTAGGYFRQSLSYLEAYNPSNGSWLRLADLQVPRSGLAGCVVGGLL
YAVGGRNNSPDGNTDSSALDCYNPMTNQWSPCASMSVPRNRIGVGVIDGH
IYAVGGSHGCIHHSSVERYEPERDEWHLVAPMLTRRIGVGVAVLNRLLYA
VGGFDGTNRLNSAECYYPERNEWRMITPMNTIRSGAGVCVLHNCIYAAGG
YDGQDQLNSVERYDVETETWTFVAPMRHHRSALGITVHQGKIYVLGGYDG
HTFLDSVECYDPDSDTWSEVTRMTSGRSGVGVAVTMEPC

3D structure

PDB

6qmd Structure-Activity and Structure-Conformation Relationships of Aryl Propionic Acid Inhibitors of the Kelch-like ECH-Associated Protein 1/Nuclear Factor Erythroid 2-Related Factor 2 (KEAP1/NRF2) Protein-Protein Interaction.

Chain

Resolution

1.94 Å

3D
structure

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Enzymatic activity

Enzyme Commision number

Interaction with ligand

Site #	Ligand	Ligand chain	Binding residues on receptor (original residue number in PDB)	Binding residues on receptor (residue number reindexed from 1)	Binding affinity
BS01	J6N	A	R415 G462 R483 S508 G509 Y525 S555 A556	R91 G138 R159 S184 G185 Y201 S231 A232	MOAD: ic50=170uM PDBbind-CN: -logKd/Ki=3.77,IC50=170uM
BS02	J6N	A	Y334 Y572 F577	Y10 Y248 F253	MOAD: ic50=170uM PDBbind-CN: -logKd/Ki=3.77,IC50=170uM

External links

PDB	RCSB:6qmd, PDBe:6qmd, PDBj:6qmd
PDBsum	6qmd
PubMed	30973731
UniProt	Q9Z2X8\|KEAP1_MOUSE Kelch-like ECH-associated protein 1 (Gene Name=Keap1)

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