Structure of PDB 8z10 Chain A Binding Site BS01

Receptor Information
>8z10 Chain A (length=507) 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
RRVEGVRMEEIVEGCTGALHILARDVHNRIVIRGLNTIPLFVQLLYSPIE
NIQRVAAGVLCELAQDKEAAEAIEAEGATAPLTELLHSRNEGVATYAAAV
LFRMSED
Ligand information
Ligand IDPRO
InChIInChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1
InChIKeyONIBWKKTOPOVIA-BYPYZUCNSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1C[C@H](NC1)C(=O)O
CACTVS 3.341OC(=O)[C@@H]1CCCN1
CACTVS 3.341OC(=O)[CH]1CCCN1
OpenEye OEToolkits 1.5.0C1CC(NC1)C(=O)O
ACDLabs 10.04O=C(O)C1NCCC1
FormulaC5 H9 N O2
NamePROLINE
ChEMBLCHEMBL54922
DrugBankDB00172
ZINCZINC000000895360
PDB chain8z10 Chain A Residue 701 [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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PDB8z10 Crystal structure of Beta-catenin
Resolution2.35 Å
Binding residue
(original residue number in PDB)		R457 E458 D459
Binding residue
(residue number reindexed from 1)		R309 E310 D311
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:8z10, PDBe:8z10, PDBj:8z10
PDBsum8z10
PubMed
UniProtP35222|CTNB1_HUMAN Catenin beta-1 (Gene Name=CTNNB1)

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