Structure of PDB 8gsj Chain A Binding Site BS05

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 ID

GJZ

InChI

InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2/t8-,9+/m0/s1

InChIKey

AELCINSCMGFISI-DTWKUNHWSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 1.7.0	c1ccc(cc1)[C@@H]2C[C@H]2N
CACTVS 3.370	N[CH]1C[CH]1c2ccccc2
ACDLabs 12.01	c1cccc(c1)C2CC2N
OpenEye OEToolkits 1.7.0	c1ccc(cc1)C2CC2N
CACTVS 3.370	N[C@@H]1C[C@H]1c2ccccc2

Formula

C9 H11 N

Name

(1R,2S)-2-phenylcyclopropanamine

PDB chain

8gsj Chain A Residue 805 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	8gsj APC-Asef tripeptide inhibitor
Resolution	2.1 Å
Binding residue (original residue number in PDB)	F458 M503 N507
Binding residue (residue number reindexed from 1)	F56 M101 N105
Annotation score	1

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
PDBsum	8gsj
PubMed
UniProt	P25054\|APC_HUMAN Adenomatous polyposis coli protein (Gene Name=APC)

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