Structure of PDB 4iqk Chain A

Receptor sequence
>4iqkA (length=285) Species: 9606 (Homo sapiens) [Search protein sequence]
GRLIYTAGGYFRQSLSYLEAYNPSNGTWLRLADLQVPRSGLAGCVVGGLL
YAVGGRNNSPDGNTDSSALDCYNPMTNQWSPCAPMSVPRNRIGVGVIDGH
IYAVGGSHGCIHHNSVERYEPERDEWHLVAPMLTRRIGVGVAVLNRLLYA
VGGFDGTNRLNSAECYYPERNEWRMITAMNTIRSGAGVCVLHNCIYAAGG
YDGQDQLNSVERYDVATATWTFVAPMKHRRSALGITVHQGRIYVLGGYDG
HTFLDSVECYDPDTDTWSEVTRMTSGRSGVGVAVT
3D structure
PDB4iqk Small molecules inhibit the interaction of Nrf2 and the Keap1 Kelch domain through a non-covalent mechanism.
ChainA
Resolution1.97 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 IQK A Y334 R415 S508 G509 Y525 S555 A556 Y572 F577 S602 G603 Y10 R91 S184 G185 Y201 S231 A232 Y248 F253 S278 G279 MOAD: ic50=2.7uM
BindingDB: IC50=1600nM,Kd=500nM,Ki=250nM,EC50=5800nM
External links
PDB RCSB:4iqk, PDBe:4iqk, PDBj:4iqk
PDBsum4iqk
PubMed23647822
UniProtQ14145|KEAP1_HUMAN Kelch-like ECH-associated protein 1 (Gene Name=KEAP1)

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