Structure of PDB 7x4x Chain C Binding Site BS01

Receptor Information
>7x4x Chain C (length=130) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RTFSYTLEDHTKQAFGIMNELRLSQQLCDVTLQVKYQDAPAAQFMAHKVV
LASSSPVFKAMFTNGLREQGMEVVSIEGIHPKVMERLIEFAYTASISMGE
KCVLHVMNGAVMYQIDSVVRACADFLVQQL
Ligand information
Ligand ID9J3
InChIInChI=1S/C6H10O4/c1-2-10-6(9)4-3-5(7)8/h2-4H2,1H3,(H,7,8)
InChIKeyLOLKAJARZKDJTD-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01OC(=O)CCC(=O)OCC
CACTVS 3.385CCOC(=O)CCC(O)=O
OpenEye OEToolkits 2.0.6CCOC(=O)CCC(=O)O
FormulaC6 H10 O4
Name4-ethoxy-4-oxobutanoic acid
ChEMBL
DrugBank
ZINCZINC000002004473
PDB chain7x4x Chain C 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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PDB7x4x Characterization of the modification of Kelch-like ECH-associated protein 1 by different fumarates.
Resolution2.96 Å
Binding residue
(original residue number in PDB)		V132 R135 M147 C151 H154 V155
Binding residue
(residue number reindexed from 1)		V83 R86 M98 C102 H105 V106
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:7x4x, PDBe:7x4x, PDBj:7x4x
PDBsum7x4x
PubMed35306364
UniProtQ14145|KEAP1_HUMAN Kelch-like ECH-associated protein 1 (Gene Name=KEAP1)

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