Structure of PDB 8gsj Chain A Binding Site BS03

Receptor Information
>8gsj Chain A (length=336) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HHHMLHLLEQIRAYCETCWEWQEAHEPGMDQDKNPMPAPVEHQICPAVCV
LMKLSFDEEHRHAMNELGGLQAIAELLQVDCEMYGLTNDHYSITLRRYAG
MALTNLTFGDVANKATLCSMKGCMRALVAQLKSESEDLQQVIASVLRNLS
WRADVNSKKTLREVGSVKALMECALEVKKESTLKSVLSALWNLSAHCTEN
KADICAVDGALAFLVGTLTYRSQTNTLAIIESGGGILRNVSSLIATNEDH
RQILRENNCLQTLLQHLKSHSLTIVSNACGTLWNLSARNPKDQEALWDMG
AVSMLKNLIHSKHKMIAMGSAAALRNLMANRPAKYK
Ligand information
Ligand IDNAL
InChIInChI=1S/C13H13NO2/c14-12(13(15)16)8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7,12H,8,14H2,(H,15,16)/t12-/m0/s1
InChIKeyJPZXHKDZASGCLU-LBPRGKRZSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C(O)C(N)Cc2ccc1c(cccc1)c2
OpenEye OEToolkits 1.7.0c1ccc2cc(ccc2c1)C[C@@H](C(=O)O)N
CACTVS 3.370N[C@@H](Cc1ccc2ccccc2c1)C(O)=O
OpenEye OEToolkits 1.7.0c1ccc2cc(ccc2c1)CC(C(=O)O)N
CACTVS 3.370N[CH](Cc1ccc2ccccc2c1)C(O)=O
FormulaC13 H13 N O2
NameBETA-(2-NAPHTHYL)-ALANINE
ChEMBLCHEMBL1234619
DrugBankDB01766
ZINCZINC000000128256
PDB chain8gsj Chain A Residue 803 [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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PDB8gsj APC-Asef tripeptide inhibitor
Resolution2.1 Å
Binding residue
(original residue number in PDB)		F510 R549 N550
Binding residue
(residue number reindexed from 1)		F108 R147 N148
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0008013 beta-catenin binding
Biological Process
GO:0030178 negative regulation of Wnt signaling pathway

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Molecular Function
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Biological Process
External links
PDB RCSB:8gsj, PDBe:8gsj, PDBj:8gsj
PDBsum8gsj
PubMed
UniProtP25054|APC_HUMAN Adenomatous polyposis coli protein (Gene Name=APC)

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