Structure of PDB 7x4x Chain D Binding Site BS01

Receptor Information

>7x4x Chain D (length=129) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

RTFSYTLEDHTKQAFGIMNELRLSQQLCDVTLQVKYQDAPAAQFMAHKVV
LASSSPVFKAMFTNGLREQGMEVVSIEGIHPKVMERLIEFAYTASISMGE
KCVLHVMNGAVMYQIDSVVRACADFLVQQ

Ligand information

InChI=1S/C6H10O4/c1-2-10-6(9)4-3-5(7)8/h2-4H2,1H3,(H,7,8)

LOLKAJARZKDJTD-UHFFFAOYSA-N

SMILES

Software	SMILES
ACDLabs 12.01	OC(=O)CCC(=O)OCC
CACTVS 3.385	CCOC(=O)CCC(O)=O
OpenEye OEToolkits 2.0.6	CCOC(=O)CCC(=O)O

Formula

C6 H10 O4

Name

4-ethoxy-4-oxobutanoic acid

ZINC000002004473

PDB chain

7x4x Chain D Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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PDB	7x4x Characterization of the modification of Kelch-like ECH-associated protein 1 by different fumarates.
Resolution	2.96 Å
Binding residue (original residue number in PDB)	R135 C151 H154
Binding residue (residue number reindexed from 1)	R86 C102 H105
Annotation score	1

Enzymatic activity

Enzyme Commision number

External links

PDB	RCSB:7x4x, PDBe:7x4x, PDBj:7x4x
PDBsum	7x4x
PubMed	35306364
UniProt	Q14145\|KEAP1_HUMAN Kelch-like ECH-associated protein 1 (Gene Name=KEAP1)

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