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4AJW

Discovery and Optimization of New Benzimidazole- and Benzoxazole-Pyrimidone Selective PI3KBeta Inhibitors for the Treatment of Phosphatase and TENsin homologue (PTEN)-Deficient Cancers

Functional Information from GO Data
ChainGOidnamespacecontents
A0001782biological_processB cell homeostasis
A0002250biological_processadaptive immune response
A0005524molecular_functionATP binding
A0005737cellular_componentcytoplasm
A0005829cellular_componentcytosol
A0005886cellular_componentplasma membrane
A0005942cellular_componentphosphatidylinositol 3-kinase complex
A0006629biological_processlipid metabolic process
A0006935biological_processchemotaxis
A0006954biological_processinflammatory response
A0007166biological_processcell surface receptor signaling pathway
A0010628biological_processpositive regulation of gene expression
A0010629biological_processnegative regulation of gene expression
A0016301molecular_functionkinase activity
A0016303molecular_function1-phosphatidylinositol-3-kinase activity
A0030154biological_processcell differentiation
A0035005molecular_function1-phosphatidylinositol-4-phosphate 3-kinase activity
A0036092biological_processphosphatidylinositol-3-phosphate biosynthetic process
A0042113biological_processB cell activation
A0043491biological_processphosphatidylinositol 3-kinase/protein kinase B signal transduction
A0045087biological_processinnate immune response
A0045766biological_processpositive regulation of angiogenesis
A0046854biological_processphosphatidylinositol phosphate biosynthetic process
A0046934molecular_function1-phosphatidylinositol-4,5-bisphosphate 3-kinase activity
A0048015biological_processphosphatidylinositol-mediated signaling
A0048872biological_processhomeostasis of number of cells
A0050832biological_processdefense response to fungus
B0001782biological_processB cell homeostasis
B0002250biological_processadaptive immune response
B0005524molecular_functionATP binding
B0005737cellular_componentcytoplasm
B0005829cellular_componentcytosol
B0005886cellular_componentplasma membrane
B0005942cellular_componentphosphatidylinositol 3-kinase complex
B0006629biological_processlipid metabolic process
B0006935biological_processchemotaxis
B0006954biological_processinflammatory response
B0007166biological_processcell surface receptor signaling pathway
B0010628biological_processpositive regulation of gene expression
B0010629biological_processnegative regulation of gene expression
B0016301molecular_functionkinase activity
B0016303molecular_function1-phosphatidylinositol-3-kinase activity
B0030154biological_processcell differentiation
B0035005molecular_function1-phosphatidylinositol-4-phosphate 3-kinase activity
B0036092biological_processphosphatidylinositol-3-phosphate biosynthetic process
B0042113biological_processB cell activation
B0043491biological_processphosphatidylinositol 3-kinase/protein kinase B signal transduction
B0045087biological_processinnate immune response
B0045766biological_processpositive regulation of angiogenesis
B0046854biological_processphosphatidylinositol phosphate biosynthetic process
B0046934molecular_function1-phosphatidylinositol-4,5-bisphosphate 3-kinase activity
B0048015biological_processphosphatidylinositol-mediated signaling
B0048872biological_processhomeostasis of number of cells
B0050832biological_processdefense response to fungus
Functional Information from PDB Data
site_idAC1
Number of Residues10
DetailsBINDING SITE FOR RESIDUE VWN A 2027
ChainResidue
APHE751
AASP911
AMET752
APRO758
ATRP760
AILE777
ALYS779
AGLU826
AVAL828
AMET900

site_idAC2
Number of Residues9
DetailsBINDING SITE FOR RESIDUE VWN B 2027
ChainResidue
BMET752
BPRO758
BTRP760
BILE777
BLYS779
BGLU826
BVAL828
BMET900
BASP911

Functional Information from PROSITE/UniProt
site_idPS00915
Number of Residues15
DetailsPI3_4_KINASE_1 Phosphatidylinositol 3- and 4-kinases signature 1. FKng.DDLRQDmltlQ
ChainResidueDetails
APHE778-GLN792

site_idPS00916
Number of Residues21
DetailsPI3_4_KINASE_2 Phosphatidylinositol 3- and 4-kinases signature 2. ScAgycVatYVLgIgDRHsdN
ChainResidueDetails
ASER878-ASN898

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues2
DetailsMOD_RES: Phosphotyrosine => ECO:0000250|UniProtKB:O00329
ChainResidueDetails
ATYR523
BTYR523

site_idSWS_FT_FI2
Number of Residues2
DetailsMOD_RES: Phosphoserine; by autocatalysis => ECO:0000250|UniProtKB:O00329
ChainResidueDetails
ASER1039
BSER1039

221051

PDB entries from 2024-06-12

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