Structure of PDB 8ei9 Chain A Binding Site BS02

Receptor Information
>8ei9 Chain A (length=518) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LATRAIPELTKLLNDEDQVVVNKAAVMVHQLSKKEASRHAIMRSPQMVSA
IVRTMQNTNDVETARCTAGTLHNLSHHREGLLAIFKSGGIPALVKMLGSP
VDSVLFYAITTLHNLLLHQEGAKMAVRLAGGLQKMVALLNKTNVKFLAIT
TDCLQILAYGNQESKLIILASGGPQALVNIMRTYTYEKLLWTTSRVLKVL
SVCSSNKPAIVEAGGMQALGLHLTDPSQRLVQNCLWTLRNLSDAATKQEG
MEGLLGTLVQLLGSDDINVVTCAAGILSNLTCNNYKNKMMVCQVGGIEAL
VRTVLRAGDREDITEPAICALRHLTSRHQEAEMAQNAVRLHYGLPVVVKL
LHPPSHWPLIKATVGLIRNLALCPANHAPLREQGAIPRLVQLLVRAHQDT
QRRTSMGGTQQQFVEGVRMEEIVEGCTGALHILARDVHNRIVIRGLNTIP
LFVQLLYSPIENIQRVAAGVLCELAQDKEAAEAIEAEGATAPLTELLHSR
NEGVATYAAAVLFRMSED
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 chain8ei9 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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PDB8ei9 Recognition and reprogramming of E3 ubiquitin ligase surfaces by alpha-helical peptides
Resolution3.9 Å
Binding residue
(original residue number in PDB)		A656 F660
Binding residue
(residue number reindexed from 1)		A509 F513
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:8ei9, PDBe:8ei9, PDBj:8ei9
PDBsum8ei9
PubMed37914719
UniProtP35222|CTNB1_HUMAN Catenin beta-1 (Gene Name=CTNNB1)

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