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- PDB-2mh3: NMR structure of the basic helix-loop-helix region of the transcr... -

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Basic information

Entry
Database: PDB / ID: 2mh3
TitleNMR structure of the basic helix-loop-helix region of the transcriptional repressor HES-1
ComponentsTranscription factor HES-1
KeywordsDNA BINDING PROTEIN / bHLH
Function / homology
Function and homology information


trochlear nerve development / stomach neuroendocrine cell differentiation / negative regulation of stomach neuroendocrine cell differentiation / N-box binding / comma-shaped body morphogenesis / S-shaped body morphogenesis / renal interstitial fibroblast development / negative regulation of cell fate determination / negative regulation of pancreatic A cell differentiation / positive regulation of mitotic cell cycle, embryonic ...trochlear nerve development / stomach neuroendocrine cell differentiation / negative regulation of stomach neuroendocrine cell differentiation / N-box binding / comma-shaped body morphogenesis / S-shaped body morphogenesis / renal interstitial fibroblast development / negative regulation of cell fate determination / negative regulation of pancreatic A cell differentiation / positive regulation of mitotic cell cycle, embryonic / regulation of timing of neuron differentiation / midbrain-hindbrain boundary morphogenesis / metanephric nephron tubule morphogenesis / common bile duct development / pancreatic A cell differentiation / negative regulation of amacrine cell differentiation / ureteric bud morphogenesis / hindbrain morphogenesis / lateral inhibition / oculomotor nerve development / ascending aorta morphogenesis / amacrine cell differentiation / cardiac neural crest cell development involved in outflow tract morphogenesis / glomerulus vasculature development / vascular associated smooth muscle cell development / cell morphogenesis involved in neuron differentiation / adenohypophysis development / HLH domain binding / negative regulation of pro-B cell differentiation / negative regulation of inner ear auditory receptor cell differentiation / Cajal-Retzius cell differentiation / pharyngeal arch artery morphogenesis / regulation of secondary heart field cardioblast proliferation / negative regulation of calcium ion import / NOTCH2 intracellular domain regulates transcription / inner ear receptor cell stereocilium organization / establishment of epithelial cell polarity / telencephalon development / inner ear auditory receptor cell differentiation / neuronal stem cell population maintenance / negative regulation of oligodendrocyte differentiation / positive regulation of astrocyte differentiation / response to thyroid hormone / forebrain radial glial cell differentiation / cell fate determination / negative regulation of stem cell differentiation / JUN kinase binding / positive regulation of BMP signaling pathway / regulation of epithelial cell proliferation / embryonic heart tube morphogenesis / response to alkaloid / regulation of receptor signaling pathway via JAK-STAT / Regulation of gene expression in late stage (branching morphogenesis) pancreatic bud precursor cells / RUNX3 regulates NOTCH signaling / regulation of fat cell differentiation / NOTCH4 Intracellular Domain Regulates Transcription / labyrinthine layer blood vessel development / anterior/posterior pattern specification / ventricular septum development / artery morphogenesis / cellular response to fatty acid / NOTCH3 Intracellular Domain Regulates Transcription / negative regulation of glial cell proliferation / midbrain development / smoothened signaling pathway / ventricular septum morphogenesis / cochlea development / positive regulation of DNA binding / positive regulation of Notch signaling pathway / outflow tract morphogenesis / E-box binding / RUNX2 regulates osteoblast differentiation / somatic stem cell population maintenance / regulation of neurogenesis / negative regulation of neuron differentiation / regulation of protein-containing complex assembly / cellular response to interleukin-1 / BMP signaling pathway / T cell proliferation / positive regulation of T cell proliferation / positive regulation of tyrosine phosphorylation of STAT protein / cell maturation / Notch signaling pathway / transcription corepressor binding / cellular response to nerve growth factor stimulus / thymus development / liver development / positive regulation of receptor signaling pathway via JAK-STAT / lung development / negative regulation of forebrain neuron differentiation / negative regulation of DNA-binding transcription factor activity / response to organic cyclic compound / NOTCH1 Intracellular Domain Regulates Transcription / Constitutive Signaling by NOTCH1 PEST Domain Mutants / Constitutive Signaling by NOTCH1 HD+PEST Domain Mutants / DNA-binding transcription repressor activity, RNA polymerase II-specific / histone deacetylase binding / nuclear matrix / sequence-specific double-stranded DNA binding / negative regulation of neuron projection development
Similarity search - Function
Orange domain / Hairy Orange / Orange domain profile. / Orange domain / Helix-loop-helix DNA-binding domain / MYOD Basic-Helix-Loop-Helix Domain, subunit B / Helix-loop-helix DNA-binding domain / Helix-loop-helix DNA-binding domain superfamily / helix loop helix domain / Myc-type, basic helix-loop-helix (bHLH) domain ...Orange domain / Hairy Orange / Orange domain profile. / Orange domain / Helix-loop-helix DNA-binding domain / MYOD Basic-Helix-Loop-Helix Domain, subunit B / Helix-loop-helix DNA-binding domain / Helix-loop-helix DNA-binding domain superfamily / helix loop helix domain / Myc-type, basic helix-loop-helix (bHLH) domain / Myc-type, basic helix-loop-helix (bHLH) domain profile. / Few Secondary Structures / Irregular
Similarity search - Domain/homology
Transcription factor HES-1
Similarity search - Component
Biological speciesHomo sapiens (human)
MethodSOLUTION NMR / restrained molecular dynamics
AuthorsWienk, H. / Popovic, M. / Coglievina, M. / Boelens, R. / Pongor, S. / Pintar, A.
CitationJournal: Proteins / Year: 2014
Title: The basic helix-loop-helix region of the transcriptional repressor hairy and enhancer of split 1 is preorganized to bind DNA.
Authors: Popovic, M. / Wienk, H. / Coglievina, M. / Boelens, R. / Pongor, S. / Pintar, A.
History
DepositionNov 15, 2013Deposition site: BMRB / Processing site: RCSB
Revision 1.0Feb 5, 2014Provider: repository / Type: Initial release
Revision 1.1Mar 26, 2014Group: Database references
Revision 1.2Jun 14, 2023Group: Data collection / Database references / Other
Category: database_2 / pdbx_database_status ...database_2 / pdbx_database_status / pdbx_nmr_software / pdbx_nmr_spectrometer / struct_ref_seq_dif
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_database_status.status_code_nmr_data / _pdbx_nmr_software.name / _pdbx_nmr_spectrometer.model / _struct_ref_seq_dif.details
Revision 1.3May 15, 2024Group: Data collection / Database references / Category: chem_comp_atom / chem_comp_bond / database_2 / Item: _database_2.pdbx_DOI

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Transcription factor HES-1
B: Transcription factor HES-1


Theoretical massNumber of molelcules
Total (without water)16,4552
Polymers16,4552
Non-polymers00
Water00
1


  • Idetical with deposited unit
  • defined by author
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
NMR ensembles
DataCriteria
Number of conformers (submitted / calculated)20 / 100structures with the lowest energy
RepresentativeModel #1lowest energy

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Components

#1: Protein Transcription factor HES-1 / Class B basic helix-loop-helix protein 39 / bHLHb39 / Hairy and enhancer of split 1 / Hairy homolog ...Class B basic helix-loop-helix protein 39 / bHLHb39 / Hairy and enhancer of split 1 / Hairy homolog / Hairy-like protein / hHL


Mass: 8227.726 Da / Num. of mol.: 2 / Fragment: UNP residues 27-95
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: HES1, BHLHB39, HL, HRY / Production host: Escherichia coli (E. coli) / References: UniProt: Q14469

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Experimental details

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Experiment

ExperimentMethod: SOLUTION NMR
NMR experiment
Conditions-IDExperiment-IDSolution-IDType
111triple resonance assignment
121relaxation
131DNA titration
141NOESY

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Sample preparation

DetailsContents: 2 mM [U-99% 13C; U-99% 15N] protein, 50 mM potassium phosphate, 90% H2O/10% D2O
Solvent system: 90% H2O/10% D2O
Sample
Conc. (mg/ml)ComponentIsotopic labelingSolution-ID
2 mMentity-1[U-99% 13C; U-99% 15N]1
50 mMpotassium phosphate-21
Sample conditionsIonic strength: 50 / pH: 6.5 / Pressure: ambient / Temperature: 288 K

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NMR measurement

NMR spectrometer
TypeManufacturerModelField strength (MHz)Spectrometer-ID
Bruker AvanceBrukerAVANCE6001
Bruker AvanceBrukerAVANCE9002

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Processing

NMR software
NameDeveloperClassification
CCPN_ANALYSISCCPNchemical shift assignment
CS-ROSETTAShen, Vernon, Baker and Baxdata analysis
TALOS+Cornilescu, Delaglio and Baxdata analysis
CNSBrunger, Adams, Clore, Gros, Nilges and Readrefinement
CINGVuister et al.data analysis
NMRPipeDelaglio, Grzesiek, Vuister, Zhu, Pfeifer and Baxprocessing
RefinementMethod: restrained molecular dynamics / Software ordinal: 1
NMR representativeSelection criteria: lowest energy
NMR ensembleConformer selection criteria: structures with the lowest energy
Conformers calculated total number: 100 / Conformers submitted total number: 20

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