Structure of PDB 4dhp Chain A

Receptor sequence

>4dhpA (length=228) Species: 9606 (Homo sapiens) [Search protein sequence]

AMGSMERASLIQKAKLAEQAERYEDMAAFMKGAVEKGEELSCEERNLLSV
AYKNVVGGQRAAWRVLSSIEQKSNGPEVREYREKVETELQGVCDTVLGLL
DSHLIKEAGDAESRVFYLKMKGDYYRYLAEVATGDDKKRIIDSARSAYQE
AMDISKKEMPPTNPIRLGLALNFSVFHYEIANSPEEAISLAKTTFDEAMA
DLHTLSEDSYKDSTLIMQLLRDNLTLWT

3D structure

PDB

4dhp Virtual screening and experimental validation reveal novel small-molecule inhibitors of 14-3-3 protein-protein interactions.

Chain

Resolution

1.75 Å

3D
structure

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Enzymatic activity

Enzyme Commision number

Interaction with ligand

Site #	Ligand	Ligand chain	Binding residues on receptor (original residue number in PDB)	Binding residues on receptor (residue number reindexed from 1)	Binding affinity
BS01	MG	A	G78 E80	G75 E77
BS02	Y07	A	G53 R56 R60 R129 Y130 L174 N175 V178	G57 R60 R64 R126 Y127 L171 N172 V175	PDBbind-CN: -logKd/Ki=4.44,IC50=36uM

Gene Ontology

	Molecular Function
GO:0005515	protein binding
GO:0008426	protein kinase C inhibitor activity
GO:0019901	protein kinase binding
GO:0042802	identical protein binding
GO:0045296	cadherin binding
GO:0050815	phosphoserine residue binding
GO:0051219	phosphoprotein binding
GO:0140311	protein sequestering activity

	Biological Process
GO:0000122	negative regulation of transcription by RNA polymerase II
GO:0001836	release of cytochrome c from mitochondria
GO:0003334	keratinocyte development
GO:0006469	negative regulation of protein kinase activity
GO:0006611	protein export from nucleus
GO:0007165	signal transduction
GO:0008104	protein localization
GO:0008630	intrinsic apoptotic signaling pathway in response to DNA damage
GO:0010482	regulation of epidermal cell division
GO:0010839	negative regulation of keratinocyte proliferation
GO:0022407	regulation of cell-cell adhesion
GO:0030216	keratinocyte differentiation
GO:0030307	positive regulation of cell growth
GO:0031424	keratinization
GO:0032880	regulation of protein localization
GO:0043588	skin development
GO:0043616	keratinocyte proliferation
GO:0045606	positive regulation of epidermal cell differentiation
GO:0045785	positive regulation of cell adhesion
GO:0045824	negative regulation of innate immune response
GO:0046827	positive regulation of protein export from nucleus
GO:0051726	regulation of cell cycle
GO:0061436	establishment of skin barrier
GO:0072089	stem cell proliferation
GO:0141156	cAMP/PKA signal transduction
GO:1903077	negative regulation of protein localization to plasma membrane
GO:1903829	positive regulation of protein localization
GO:2000647	negative regulation of stem cell proliferation

	Cellular Component
GO:0005576	extracellular region
GO:0005615	extracellular space
GO:0005634	nucleus
GO:0005737	cytoplasm
GO:0005829	cytosol
GO:0070062	extracellular exosome

View graph for
Molecular Function

View graph for
Biological Process

View graph for
Cellular Component

External links

PDB	RCSB:4dhp, PDBe:4dhp, PDBj:4dhp
PDBsum	4dhp
PubMed	23939230
UniProt	P31947\|1433S_HUMAN 14-3-3 protein sigma (Gene Name=SFN)

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