Structure of PDB 4j1r Chain D

Receptor sequence
>4j1rD (length=346) Species: 9606 (Homo sapiens) [Search protein sequence]
KVTTVVATPGQGPDRPQEVSYTDTKVIGNGSFGVVYQAKLCDSGELVAIK
KVLQDKRFKNRELQIMRKLDHCNIVRLRYFFYSSKDEVYLNLVLDYVPET
VYRVARHYSRAKQTLPVIYVKLYMYQLFRSLAYIHSFGICHRDIKPQNLL
LDPDTAVLKLCDFGSAKQLVRGEPNVSYICSRYYRAPELIFGATDYTSSI
DVWSAGCVLAELLLGQPIFPGDSGVDQLVEIIKVLGTPTREQIREMNPNY
TEFKFPQIKAHPWTKVFRPRTPPEAIALCSRLLEYTPTARLTPLEACAHS
FFDELRDPNVKLPNGRDTPALFNFTTQELSSNPPLATILIPPHARI
3D structure
PDB4j1r Fragment-based approach using diversity-oriented synthesis yields a GSK3b inhibitor
ChainD
Resolution2.702 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) D181 K183 N186 D200 S219
Catalytic site (residue number reindexed from 1) D143 K145 N148 D162 S181
Enzyme Commision number 2.7.11.1: non-specific serine/threonine protein kinase.
2.7.11.26: [tau protein] kinase.
Interaction with ligand
Site
#		 Ligand Ligand
chain		 Binding residues on receptor
(original residue number in PDB)		 Binding residues on receptor
(residue number reindexed from 1)		 Binding affinity
BS01 I5R D G63 V70 V110 L132 D133 Y134 V135 L188 C199 D200 G28 V35 V75 L94 D95 Y96 V97 L150 C161 D162 BindingDB: Kd=9000nM,IC50=18000nM
Gene Ontology
Molecular Function
GO:0002020 protease binding
GO:0002039 p53 binding
GO:0004672 protein kinase activity
GO:0004674 protein serine/threonine kinase activity
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0008013 beta-catenin binding
GO:0016301 kinase activity
GO:0019901 protein kinase binding
GO:0031625 ubiquitin protein ligase binding
GO:0034236 protein kinase A catalytic subunit binding
GO:0034452 dynactin binding
GO:0044024 histone H2AS1 kinase activity
GO:0048156 tau protein binding
GO:0050321 tau-protein kinase activity
GO:0051059 NF-kappaB binding
GO:0061629 RNA polymerase II-specific DNA-binding transcription factor binding
GO:0106310 protein serine kinase activity
Biological Process
GO:0001837 epithelial to mesenchymal transition
GO:0001954 positive regulation of cell-matrix adhesion
GO:0003170 heart valve development
GO:0005977 glycogen metabolic process
GO:0006338 chromatin remodeling
GO:0006468 protein phosphorylation
GO:0006983 ER overload response
GO:0007005 mitochondrion organization
GO:0007212 G protein-coupled dopamine receptor signaling pathway
GO:0007399 nervous system development
GO:0007623 circadian rhythm
GO:0008286 insulin receptor signaling pathway
GO:0009968 negative regulation of signal transduction
GO:0010508 positive regulation of autophagy
GO:0010628 positive regulation of gene expression
GO:0010629 negative regulation of gene expression
GO:0010719 negative regulation of epithelial to mesenchymal transition
GO:0010975 regulation of neuron projection development
GO:0016055 Wnt signaling pathway
GO:0016310 phosphorylation
GO:0018105 peptidyl-serine phosphorylation
GO:0018107 peptidyl-threonine phosphorylation
GO:0019082 viral protein processing
GO:0021766 hippocampus development
GO:0030010 establishment of cell polarity
GO:0030011 maintenance of cell polarity
GO:0030154 cell differentiation
GO:0030336 negative regulation of cell migration
GO:0030516 regulation of axon extension
GO:0031175 neuron projection development
GO:0031333 negative regulation of protein-containing complex assembly
GO:0031334 positive regulation of protein-containing complex assembly
GO:0031398 positive regulation of protein ubiquitination
GO:0032007 negative regulation of TOR signaling
GO:0032092 positive regulation of protein binding
GO:0032436 positive regulation of proteasomal ubiquitin-dependent protein catabolic process
GO:0032886 regulation of microtubule-based process
GO:0035556 intracellular signal transduction
GO:0036016 cellular response to interleukin-3
GO:0042752 regulation of circadian rhythm
GO:0043066 negative regulation of apoptotic process
GO:0043161 proteasome-mediated ubiquitin-dependent protein catabolic process
GO:0043547 positive regulation of GTPase activity
GO:0045597 positive regulation of cell differentiation
GO:0045668 negative regulation of osteoblast differentiation
GO:0045719 negative regulation of glycogen biosynthetic process
GO:0045724 positive regulation of cilium assembly
GO:0045732 positive regulation of protein catabolic process
GO:0046777 protein autophosphorylation
GO:0046825 regulation of protein export from nucleus
GO:0046827 positive regulation of protein export from nucleus
GO:0048511 rhythmic process
GO:0048814 regulation of dendrite morphogenesis
GO:0050770 regulation of axonogenesis
GO:0051093 negative regulation of developmental process
GO:0051128 regulation of cellular component organization
GO:0060070 canonical Wnt signaling pathway
GO:0060079 excitatory postsynaptic potential
GO:0070507 regulation of microtubule cytoskeleton organization
GO:0070885 negative regulation of calcineurin-NFAT signaling cascade
GO:0071109 superior temporal gyrus development
GO:0071300 cellular response to retinoic acid
GO:0090090 negative regulation of canonical Wnt signaling pathway
GO:0097191 extrinsic apoptotic signaling pathway
GO:0097192 extrinsic apoptotic signaling pathway in absence of ligand
GO:0099171 presynaptic modulation of chemical synaptic transmission
GO:0106027 neuron projection organization
GO:0150101 regulation of microtubule anchoring at centrosome
GO:1900034 regulation of cellular response to heat
GO:1900181 negative regulation of protein localization to nucleus
GO:1900271 regulation of long-term synaptic potentiation
GO:1901030 positive regulation of mitochondrial outer membrane permeabilization involved in apoptotic signaling pathway
GO:1901984 negative regulation of protein acetylation
GO:1902042 negative regulation of extrinsic apoptotic signaling pathway via death domain receptors
GO:1903566 positive regulation of protein localization to cilium
GO:1904339 negative regulation of dopaminergic neuron differentiation
GO:1904646 cellular response to amyloid-beta
GO:1904781 positive regulation of protein localization to centrosome
GO:1904886 beta-catenin destruction complex disassembly
GO:2000077 negative regulation of type B pancreatic cell development
GO:2000466 negative regulation of glycogen (starch) synthase activity
GO:2000740 negative regulation of mesenchymal stem cell differentiation
Cellular Component
GO:0005634 nucleus
GO:0005654 nucleoplasm
GO:0005737 cytoplasm
GO:0005739 mitochondrion
GO:0005813 centrosome
GO:0005829 cytosol
GO:0005886 plasma membrane
GO:0030424 axon
GO:0030425 dendrite
GO:0030877 beta-catenin destruction complex
GO:0098793 presynapse
GO:0098794 postsynapse
GO:0098978 glutamatergic synapse
GO:1990909 Wnt signalosome

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4j1r, PDBe:4j1r, PDBj:4j1r
PDBsum4j1r
PubMed
UniProtP49841|GSK3B_HUMAN Glycogen synthase kinase-3 beta (Gene Name=GSK3B)

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