Structure of PDB 8twi Chain C Binding Site BS02

Receptor Information
>8twi Chain C (length=297) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DEKVFTKELDQWIEQLNECKQLSESQVKSLCEKAKEILTKESNVQEVRCP
VTVCGDVHGQFHDLMELFRIGGKSPDTNYLFMGDYVDRGYYSVETVTLLV
ALKVRYRERITILRGNHESRQITQVYGFYDECLRKYGNANVWKYFTDLFD
YLPLTALVDGQIFCLHGGLSPSIDTLDHIRALDRLQEVPHEGPMCDLLWS
DPDDRGGWGISPRGAGYTFGQDISETFNHANGLTLVSRAHQLVMEGYNWC
HDRNVVTIFSAPNYCYRCGNQAAIMELDDTLKYSFLQFDPAPRRGEP
Ligand information
Ligand IDFE
InChIInChI=1S/Fe/q+3
InChIKeyVTLYFUHAOXGGBS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		[Fe+3]
FormulaFe
NameFE (III) ION
ChEMBL
DrugBankDB13949
ZINC
PDB chain8twi Chain C Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8twi Real-space refinement in PHENIX for cryo-EM and crystallography.
Resolution2.69 Å
Binding residue
(original residue number in PDB)		D85 N117 H167 H241
Binding residue
(residue number reindexed from 1)		D84 N116 H166 H240
Annotation score1
Enzymatic activity
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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Biological Process
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Cellular Component
External links
PDB RCSB:8twi, PDBe:8twi, PDBj:8twi
PDBsum8twi
PubMed38123684
UniProtP67775|PP2AA_HUMAN Serine/threonine-protein phosphatase 2A catalytic subunit alpha isoform (Gene Name=PPP2CA)

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