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- PDB-2lxt: Allosteric communication in the KIX domain proceeds through dynam... -
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Basic information
Entry | Database: PDB / ID: 2lxt | ||||||
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Title | Allosteric communication in the KIX domain proceeds through dynamic re-packing of the hydrophobic core | ||||||
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![]() | TRANSFERASE/PROTEIN BINDING / CREB binding protein / mixed-lineage leukemia activation domain / phosphorylated kinase inducible domain / CREB / ternary complex / TRANSFERASE-PROTEIN BINDING complex | ||||||
Function / homology | ![]() ATF4-CREB1 transcription factor complex / cAMP response element binding / secretory granule organization / lung saccule development / positive regulation of cardiac muscle tissue development / MECP2 regulates transcription of neuronal ligands / CREB1 phosphorylation through NMDA receptor-mediated activation of RAS signaling / PKA-mediated phosphorylation of CREB / CREB phosphorylation / regulation of testosterone biosynthetic process ...ATF4-CREB1 transcription factor complex / cAMP response element binding / secretory granule organization / lung saccule development / positive regulation of cardiac muscle tissue development / MECP2 regulates transcription of neuronal ligands / CREB1 phosphorylation through NMDA receptor-mediated activation of RAS signaling / PKA-mediated phosphorylation of CREB / CREB phosphorylation / regulation of testosterone biosynthetic process / AKT phosphorylates targets in the nucleus / pituitary gland development / protein-cysteine methyltransferase activity / NOTCH2 intracellular domain regulates transcription / response to potassium ion / [histone H3]-lysine4 N-methyltransferase / histone H3K4 monomethyltransferase activity / response to purine-containing compound / unmethylated CpG binding / histone H3K4 trimethyltransferase activity / peptide lactyltransferase (CoA-dependent) activity / hormone secretion / negative regulation of DNA methylation-dependent heterochromatin formation / negative regulation of transcription by competitive promoter binding / positive regulation of hormone secretion / Gastrin-CREB signalling pathway via PKC and MAPK / NFE2L2 regulating ER-stress associated genes / peptide N-acetyltransferase activity / positive regulation of multicellular organism growth / Activation of the TFAP2 (AP-2) family of transcription factors / NFE2L2 regulating inflammation associated genes / NGF-stimulated transcription / regulation of short-term neuronal synaptic plasticity / regulation of smoothened signaling pathway / positive regulation of osteoclast differentiation / histone H3K18 acetyltransferase activity / LRR FLII-interacting protein 1 (LRRFIP1) activates type I IFN production / N-terminal peptidyl-lysine acetylation / T-helper 2 cell differentiation / histone H3K27 acetyltransferase activity / NFE2L2 regulates pentose phosphate pathway genes / definitive hemopoiesis / NFE2L2 regulating MDR associated enzymes / MRF binding / histone H3K4 methyltransferase activity / RUNX1 regulates transcription of genes involved in differentiation of myeloid cells / MECP2 regulates transcription factors / response to glucagon / Regulation of gene expression in late stage (branching morphogenesis) pancreatic bud precursor cells / RUNX3 regulates NOTCH signaling / Regulation of FOXO transcriptional activity by acetylation / NOTCH4 Intracellular Domain Regulates Transcription / Regulation of gene expression by Hypoxia-inducible Factor / Nuclear events mediated by NFE2L2 / embryonic hemopoiesis / Regulation of NFE2L2 gene expression / negative regulation of transcription by RNA polymerase I / exploration behavior / NOTCH3 Intracellular Domain Regulates Transcription / anterior/posterior pattern specification / cellular response to zinc ion / CREB1 phosphorylation through the activation of CaMKII/CaMKK/CaMKIV cascasde / CREB1 phosphorylation through the activation of Adenylate Cyclase / NFE2L2 regulating anti-oxidant/detoxification enzymes / TRAF6 mediated IRF7 activation / CaMK IV-mediated phosphorylation of CREB / NFE2L2 regulating tumorigenic genes / histone methyltransferase complex / peptide-lysine-N-acetyltransferase activity / FOXO-mediated transcription of cell death genes / regulation of cell size / embryonic digit morphogenesis / type I pneumocyte differentiation / cellular response to hepatocyte growth factor stimulus / homeostatic process / protein acetylation / Notch-HLH transcription pathway / Formation of WDR5-containing histone-modifying complexes / positive regulation of transforming growth factor beta receptor signaling pathway / Formation of paraxial mesoderm / non-canonical NF-kappaB signal transduction / Constitutive Signaling by AKT1 E17K in Cancer / minor groove of adenine-thymine-rich DNA binding / Zygotic genome activation (ZGA) / stimulatory C-type lectin receptor signaling pathway / membrane depolarization / cellular response to nutrient levels / TP53 Regulates Transcription of Genes Involved in Cytochrome C Release / acetyltransferase activity / MLL1 complex / Regulation of MECP2 expression and activity / positive regulation of double-strand break repair via homologous recombination / histone acetyltransferase complex / Estrogen-dependent nuclear events downstream of ESR-membrane signaling / positive regulation of fat cell differentiation / Attenuation phase / positive regulation of lipid biosynthetic process / regulation of cellular response to heat / cellular response to retinoic acid / MECP2 regulates neuronal receptors and channels Similarity search - Function | ||||||
Biological species | ![]() | ||||||
Method | SOLUTION NMR / simulated annealing | ||||||
Model details | lowest energy, model1 | ||||||
![]() | Bruschweiler, S. / Schanda, P. / Konrat, R. / Tollinger, M. | ||||||
![]() | ![]() Title: Allosteric communication in the KIX domain proceeds through dynamic repacking of the hydrophobic core. Authors: Bruschweiler, S. / Konrat, R. / Tollinger, M. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 883.4 KB | Display | ![]() |
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PDB format | ![]() | 747.2 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
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-Validation report
Summary document | ![]() | 567.5 KB | Display | ![]() |
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Full document | ![]() | 1.3 MB | Display | |
Data in XML | ![]() | 100.6 KB | Display | |
Data in CIF | ![]() | 116 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
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Links
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Assembly
Deposited unit | ![]()
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NMR ensembles |
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Components
#1: Protein | Mass: 10353.856 Da / Num. of mol.: 1 / Fragment: UNP RESIDUES 587-673 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() |
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#2: Protein/peptide | Mass: 2061.336 Da / Num. of mol.: 1 / Fragment: UNP RESIDUES 2840-2858 / Mutation: C841A Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() References: UniProt: Q03164, histone-lysine N-methyltransferase |
#3: Protein/peptide | Mass: 3944.288 Da / Num. of mol.: 1 / Fragment: UNP RESIDUES 116-149 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() |
-Experimental details
-Experiment
Experiment | Method: SOLUTION NMR | ||||||||||||||||||||||||||||||||||||
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NMR experiment |
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Sample preparation
Details | Contents: 1 mM [U-100% 13C; U-100% 15N] entity_1-1, 2 mM entity_2-2, 2 mM [U-100% 13C; U-100% 15N] entity_3-3, 25 mM sodium chloride-4, 50 mM potassium phosphate-5, 1 mM sodium azide-6, 90% H2O/10% D2O Solvent system: 90% H2O/10% D2O | ||||||||||||||||||||||||||||
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Sample |
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Sample conditions | pH: 5.8 / Pressure: ambient / Temperature: 300 K |
-NMR measurement
NMR spectrometer |
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Processing
NMR software |
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Refinement | Method: simulated annealing / Software ordinal: 1 | ||||||||||||||||
NMR constraints | NOE constraints total: 934 / NOE intraresidue total count: 475 / NOE long range total count: 100 / NOE medium range total count: 92 / NOE sequential total count: 267 | ||||||||||||||||
NMR representative | Selection criteria: lowest energy | ||||||||||||||||
NMR ensemble | Conformer selection criteria: structures with the lowest energy Conformers calculated total number: 100 / Conformers submitted total number: 20 / Representative conformer: 1 |