Structure of PDB 8qfw Chain A Binding Site BS03

Receptor Information
>8qfw Chain A (length=292) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GMARCERLRGAALRDVLGQAQGVLFDCDGVLWNGERIVPGAPELLQRLAR
AGKNTLFVSNNSRRARPELALRFARLGFAGLRAEQLFSSALCAARLLRQR
LSGPPDASGAVFVLGGEGLRAELRAAGLRLAGDPGEDPRVRAVLVGYDEQ
FSFSRLTEACAHLRDPDCLLVATDRDPWHPLSDGSRTPGTGSLAAAVETA
SGRQALVVGKPSPYMFQCITEDFSVDPARTLMVGDRLETDILFGHRCGMT
TVLTLTGVSSLEEAQAYLTAGQRDLVPHYYVESIADLMEGLE
Ligand information
Ligand IDUK9
InChIInChI=1S/C15H10O4/c16-11-7-6-10-12(17)8-13(19-15(10)14(11)18)9-4-2-1-3-5-9/h1-8,16,18H
InChIKeyCOCYGNDCWFKTMF-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)C2=CC(=O)c3ccc(c(c3O2)O)O
CACTVS 3.385Oc1ccc2C(=O)C=C(Oc2c1O)c3ccccc3
FormulaC15 H10 O4
Name7,8-bis(oxidanyl)-2-phenyl-chromen-4-one
ChEMBL
DrugBank
ZINC
PDB chain8qfw Chain A Residue 303 [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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PDB8qfw 7,8-Dihydroxyflavone is a direct inhibitor of pyridoxal phosphatase
Resolution2.0 Å
Binding residue
(original residue number in PDB)		D27 N60 S61 R62 Y146 E148 H178 P179
Binding residue
(residue number reindexed from 1)		D28 N61 S62 R63 Y147 E149 H179 P180
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.3.16: protein-serine/threonine phosphatase.
3.1.3.74: pyridoxal phosphatase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0004721 phosphoprotein phosphatase activity
GO:0004722 protein serine/threonine phosphatase activity
GO:0005515 protein binding
GO:0016787 hydrolase activity
GO:0017018 myosin phosphatase activity
GO:0031072 heat shock protein binding
GO:0033883 pyridoxal phosphatase activity
GO:0042803 protein homodimerization activity
GO:0046872 metal ion binding
Biological Process
GO:0006470 protein dephosphorylation
GO:0007088 regulation of mitotic nuclear division
GO:0016311 dephosphorylation
GO:0030836 positive regulation of actin filament depolymerization
GO:0031247 actin rod assembly
GO:0032361 pyridoxal phosphate catabolic process
GO:0032465 regulation of cytokinesis
GO:0071318 cellular response to ATP
GO:0099159 regulation of modification of postsynaptic structure
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0005856 cytoskeleton
GO:0005886 plasma membrane
GO:0005911 cell-cell junction
GO:0015629 actin cytoskeleton
GO:0030027 lamellipodium
GO:0030496 midbody
GO:0031258 lamellipodium membrane
GO:0032154 cleavage furrow
GO:0032587 ruffle membrane
GO:0042995 cell projection
GO:0070938 contractile ring
GO:0098794 postsynapse
GO:0098978 glutamatergic synapse

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8qfw, PDBe:8qfw, PDBj:8qfw
PDBsum8qfw
PubMed38856179
UniProtP60487|PLPP_MOUSE Chronophin (Gene Name=Pdxp)

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