Structure of PDB 8ei4 Chain A Binding Site BS02

Receptor Information
>8ei4 Chain A (length=365) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HMGFRWKLAHFRYLCQSNALPSHVKINVSRQTLFEDSFQQIMALKPYDLR
RRLYVIFDYGGLAREWFFLLSHEVLNPMYCLFEYAGKNLQINPASTINPD
HLSYFCFIGRFIAMALFHGKFIDTGFSLPFYKRMLSKKLTIKDLESIDTE
FYNSLIWIRDNNIEECGLEMYFSVDMEILGKVTSHDLKLGGSNILVTEEN
KDEYIGLMTEWRFSRGVQEQTKAFLDGFNEVVPLQWLQYFDEKELEVMLC
GMQEVDLADWQRNTVYRHYTRNSKQIIWFWQFVKETDNEVRMRLLQFVTG
TCRLPLGGFAELMGSNGPQKFCIEKVGKDTWLPRSHTCFNRLDLPPYKSY
EQLKEKLLFAIEETE
Ligand information
Ligand IDWHL
InChIInChI=1S/C10H12N2O2/c1-7(13)11-9-3-5-10(6-4-9)12-8(2)14/h3-6H,1-2H3,(H,11,13)(H,12,14)
InChIKeyKVEDKKLZCJBVNP-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC(=O)Nc1ccc(cc1)NC(=O)C
CACTVS 3.385CC(=O)Nc1ccc(NC(C)=O)cc1
ACDLabs 12.01O=C(C)Nc1ccc(cc1)NC(C)=O
FormulaC10 H12 N2 O2
NameN,N'-(1,4-phenylene)diacetamide
ChEMBL
DrugBank
ZINCZINC000000075340
PDB chain8ei4 Chain B Residue 101 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8ei4 Recognition and reprogramming of E3 ubiquitin ligase surfaces by alpha-helical peptides
Resolution2.43 Å
Binding residue
(original residue number in PDB)		L720 E721
Binding residue
(residue number reindexed from 1)		L168 E169
Annotation score1
Enzymatic activity
Enzyme Commision number 2.3.2.26: HECT-type E3 ubiquitin transferase.
Gene Ontology
Molecular Function
GO:0004842 ubiquitin-protein transferase activity

View graph for
Molecular Function
External links
PDB RCSB:8ei4, PDBe:8ei4, PDBj:8ei4
PDBsum8ei4
PubMed37914719
UniProtQ9H0M0|WWP1_HUMAN NEDD4-like E3 ubiquitin-protein ligase WWP1 (Gene Name=WWP1)

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