Structure of PDB 3dw8 Chain C Binding Site BS02

Receptor Information

>3dw8 Chain C (length=288) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

FTKELDQWIEQLNECKQLSESQVKSLCEKAKEILTKESNVQEVRCPVTVC
GDVHGQFHDLMELFRIGGKSPDTNYLFMGDYVDRGYYSVETVTLLVALKV
RYRERITILRGNHESRQITQVYGFYDECLRKYGNANVWKYFTDLFDYLPL
TALVDGQIFCLHGGLSPSIDTLDHIRALDRLQEVPHEGPMCDLLWSDPDD
RGGWGISPRGAGYTFGQDISETFNHANGLTLVSRAHQLVMEGYNWCHDRN
VVTIFSAPNYCYRCGNQAAIMELDDTLKYSFLQFDPAP

Ligand information

Ligand ID

InChI

InChI=1S/Mn/q+2

InChIKey

WAEMQWOKJMHJLA-UHFFFAOYSA-N

SMILES

Software	SMILES
ACDLabs 10.04 OpenEye OEToolkits 1.5.0	[Mn+2]
CACTVS 3.341	[Mn++]

Formula

Name

MANGANESE (II) ION

PDB chain

3dw8 Chain C Residue 501 [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	3dw8 Structure of a protein phosphatase 2A holoenzyme: insights into B55-mediated Tau dephosphorylation.
Resolution	2.85 Å
Binding residue (original residue number in PDB)	D85 N117 H167 H241
Binding residue (residue number reindexed from 1)	D80 N112 H162 H236
Annotation score	1

Enzymatic activity

Catalytic site (original residue number in PDB)	D57 H59 D85 D88 R89 N117 H118 H167 R214 H241
Catalytic site (residue number reindexed from 1)	D52 H54 D80 D83 R84 N112 H113 H162 R209 H236
Enzyme Commision number	3.1.3.16: protein-serine/threonine phosphatase.

Gene Ontology

	Molecular Function
GO:0004721	phosphoprotein phosphatase activity
GO:0004722	protein serine/threonine phosphatase activity
GO:0004725	protein tyrosine phosphatase activity
GO:0005515	protein binding
GO:0016787	hydrolase activity
GO:0017018	myosin phosphatase activity
GO:0046872	metal ion binding
GO:0046982	protein heterodimerization activity
GO:0048156	tau protein binding
GO:0050811	GABA receptor binding

	Biological Process
GO:0000278	mitotic cell cycle
GO:0001932	regulation of protein phosphorylation
GO:0006470	protein dephosphorylation
GO:0007498	mesoderm development
GO:0010288	response to lead ion
GO:0010719	negative regulation of epithelial to mesenchymal transition
GO:0035331	negative regulation of hippo signaling
GO:0035556	intracellular signal transduction
GO:0035970	peptidyl-threonine dephosphorylation
GO:0040008	regulation of growth
GO:0043029	T cell homeostasis
GO:0045595	regulation of cell differentiation
GO:0051321	meiotic cell cycle
GO:0051898	negative regulation of phosphatidylinositol 3-kinase/protein kinase B signal transduction
GO:0070262	peptidyl-serine dephosphorylation
GO:0071902	positive regulation of protein serine/threonine kinase activity
GO:1900227	positive regulation of NLRP3 inflammasome complex assembly
GO:1904526	regulation of microtubule binding
GO:1904528	positive regulation of microtubule binding
GO:1904539	negative regulation of glycolytic process through fructose-6-phosphate
GO:2000045	regulation of G1/S transition of mitotic cell cycle

	Cellular Component
GO:0000159	protein phosphatase type 2A complex
GO:0000775	chromosome, centromeric region
GO:0000922	spindle pole
GO:0005634	nucleus
GO:0005694	chromosome
GO:0005737	cytoplasm
GO:0005739	mitochondrion
GO:0005829	cytosol
GO:0005856	cytoskeleton
GO:0005886	plasma membrane
GO:0008287	protein serine/threonine phosphatase complex
GO:0015630	microtubule cytoskeleton
GO:0016020	membrane
GO:0045121	membrane raft
GO:0045202	synapse
GO:0070062	extracellular exosome
GO:0090443	FAR/SIN/STRIPAK complex

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Molecular Function

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Cellular Component

External links

PDB	RCSB:3dw8, PDBe:3dw8, PDBj:3dw8
PDBsum	3dw8
PubMed	18922469
UniProt	P67775\|PP2AA_HUMAN Serine/threonine-protein phosphatase 2A catalytic subunit alpha isoform (Gene Name=PPP2CA)

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