Structure of PDB 8gsj Chain A Binding Site BS04

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 IDLEU
InChIInChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1
InChIKeyROHFNLRQFUQHCH-YFKPBYRVSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(C)C[C@@H](C(=O)O)N
CACTVS 3.341CC(C)C[C@H](N)C(O)=O
OpenEye OEToolkits 1.5.0CC(C)CC(C(=O)O)N
ACDLabs 10.04O=C(O)C(N)CC(C)C
CACTVS 3.341CC(C)C[CH](N)C(O)=O
FormulaC6 H13 N O2
NameLEUCINE
ChEMBLCHEMBL291962
DrugBankDB00149
ZINCZINC000003645145
PDB chain8gsj Chain A Residue 804 [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)		N507 F510
Binding residue
(residue number reindexed from 1)		N105 F108
Annotation score4
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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