Structure of PDB 2p69 Chain A Binding Site BS02

Receptor Information
>2p69 Chain A (length=288) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SLARCERLRGAALRDVLGRAQGVLFDCDGVLWNGERAVPGAPELLERLAR
AGKAALFVSNNSRRARPELALRFARLGFGGLRAEQLFSSALCAARLLRQR
LPGPPAVFVLGGEGLRAELRAAGLRLAGDPSAGAPRVRAVLVGYDEHFSF
AKLREACAHLRDPECLLVATDRDPWHPLSDGSRTPGTGSLAAAVETASGR
QALVVGKPSPYMFECITENFSIDPARTLMVGDRLETDILFGHRCGMTTVL
TLTGVSRLEEAQAYLAAGQHDLVPHYYVESIADLTEGL
Ligand information
Ligand IDPLP
InChIInChI=1S/C8H10NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2-3,11H,4H2,1H3,(H2,12,13,14)
InChIKeyNGVDGCNFYWLIFO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Cc1ncc(CO[P](O)(O)=O)c(C=O)c1O
OpenEye OEToolkits 1.5.0Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O
ACDLabs 10.04O=P(O)(O)OCc1cnc(c(O)c1C=O)C
FormulaC8 H10 N O6 P
NamePYRIDOXAL-5'-PHOSPHATE;
VITAMIN B6 Phosphate
ChEMBLCHEMBL82202
DrugBankDB00114
ZINCZINC000001532514
PDB chain2p69 Chain A Residue 306 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2p69 Structural genomics of protein phosphatases.
Resolution2.25 Å
Binding residue
(original residue number in PDB)		D25 D27 S58 N59 N60 Y150 H182 K213
Binding residue
(residue number reindexed from 1)		D26 D28 S59 N60 N61 Y144 H176 K207
Annotation score3
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:0016791 phosphatase 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:2p69, PDBe:2p69, PDBj:2p69
PDBsum2p69
PubMed18058037
UniProtQ96GD0|PLPP_HUMAN Chronophin (Gene Name=PDXP)

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