Structure of PDB 4xmb Chain A

Receptor sequence
>4xmbA (length=286) Species: 9606 (Homo sapiens) [Search protein sequence]
VGRLIYTAGGYFRQSLSYLEAYNPSDGTWLRLADLQVPRSGLAGCVVGGL
LYAVGGRNNSPDGNTDSSALDCYNPMTNQWSPCAPMSVPRNRIGVGVIDG
HIYAVGGSHGCIHHNSVERYEPERDEWHLVAPMLTRRIGVGVAVLNRLLY
AVGGFDGTNRLNSAECYYPERNEWRMITAMNTIRSGAGVCVLHNCIYAAG
GYDGQDQLNSVERYDVETETWTFVAPMKHRRSALGITVHQGRIYVLGGYD
GHTFLDSVECYDPDTDTWSEVTRMTSGRSGVGVAVT
3D structure
PDB4xmb Probing the structural requirements of non-electrophilic naphthalene-based Nrf2 activators.
ChainA
Resolution2.428 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 41P A Y334 S363 G364 R380 N414 R415 I461 S508 G509 Y525 Q530 S555 A556 F577 S602 G603 Y11 S40 G41 R57 N91 R92 I138 S185 G186 Y202 Q207 S232 A233 F254 S279 G280 MOAD: Kd=44nM
PDBbind-CN: -logKd/Ki=7.36,Kd=44nM
BindingDB: Ki=53nM,IC50=44nM,Kd=44nM,EC50=12000nM
External links
PDB RCSB:4xmb, PDBe:4xmb, PDBj:4xmb
PDBsum4xmb
PubMed26363505
UniProtQ14145|KEAP1_HUMAN Kelch-like ECH-associated protein 1 (Gene Name=KEAP1)

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