Structure of PDB 7x4w Chain D Binding Site BS01

Receptor Information
>7x4w Chain D (length=127) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RTFSYTLEDHTKQAFGIMNELRLSQQLCDVTLQVKYQDAPAAQFMAHKVV
LASSSPVFKAMFTNGQGMEVVSIEGIHPKVMERLIEFAYTASISMGEKCV
LHVMNGAVMYQIDSVVRACADFLVQQL
Ligand information
Ligand ID9HB
InChIInChI=1S/C6H10O4/c1-9-5(7)3-4-6(8)10-2/h3-4H2,1-2H3
InChIKeyMUXOBHXGJLMRAB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.6		COC(=O)CCC(=O)OC
FormulaC6 H10 O4
NameDimethyl fumarate
ChEMBLCHEMBL556489
DrugBank
ZINCZINC000001683870
PDB chain7x4w Chain D Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB7x4w Characterization of the modification of Kelch-like ECH-associated protein 1 by different fumarates.
Resolution3.209 Å
Binding residue
(original residue number in PDB)		V132 C151 H154
Binding residue
(residue number reindexed from 1)		V80 C99 H102
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:7x4w, PDBe:7x4w, PDBj:7x4w
PDBsum7x4w
PubMed35306364
UniProtQ14145|KEAP1_HUMAN Kelch-like ECH-associated protein 1 (Gene Name=KEAP1)

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