Structure of PDB 8eic Chain A Binding Site BS02

Receptor Information
>8eic Chain A (length=516) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ATRAIPELTKLLNDEDQVVVNKAAVMVHQLSKKEASRHAIMRSPQMVSAI
VRTMQNTNDVETARCTAGTLHNLSHHREGLLAIFKSGGIPALVKMLGSPV
DSVLFYAITTLHNLLLHQEGAKMAVRLAGGLQKMVALLNKTNVKFLAITT
DCLQILAYGNQESKLIILASGGPQALVNIMRTYTYEKLLWTTSRVLKVLS
VCSSNKPAIVEAGGMQALGLHLTDPSQRLVQNCLWTLRNLSDAATKQEGM
EGLLGTLVQLLGSDDINVVTCAAGILSNLTCNNYKNKMMVCQVGGIEALV
RTVLRAGDREDITEPAICALRHLTSRHQEAEMAQNAVRLHYGLPVVVKLL
HPPSHWPLIKATVGLIRNLALCPANHAPLREQGAIPRLVQLLVRAHQDTQ
RRTSMGGTQQQFVEGVRMEEIVEGCTGALHILARDVHNRIVIRGLNTIPL
FVQLLYSPIENIQRVAAGVLCELAQDKEAAEAIEAEGATAPLTELLHSRN
EGVATYAAAVLFRMSE
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 chain8eic Chain C Residue 101 [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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PDB8eic Recognition and reprogramming of E3 ubiquitin ligase surfaces by alpha-helical peptides
Resolution2.62 Å
Binding residue
(original residue number in PDB)		E620 Q623
Binding residue
(residue number reindexed from 1)		E472 Q475
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0045296 cadherin binding
Biological Process
GO:0007155 cell adhesion

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Molecular Function
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Biological Process
External links
PDB RCSB:8eic, PDBe:8eic, PDBj:8eic
PDBsum8eic
PubMed37914719
UniProtP35222|CTNB1_HUMAN Catenin beta-1 (Gene Name=CTNNB1)

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