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Yorodumi- PDB-5v0l: Crystal structure of the AHR-ARNT heterodimer in complex with the DRE -
+Open data
-Basic information
Entry | Database: PDB / ID: 5v0l | ||||||
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Title | Crystal structure of the AHR-ARNT heterodimer in complex with the DRE | ||||||
Components |
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Keywords | TRANSCRIPTION/DNA / AHR / ARNT / transcription factor / heterodimer / TRANSCRIPTION-DNA complex | ||||||
Function / homology | Function and homology information circumferential growth involved in left ventricle morphogenesis / negative regulation of calcium ion transmembrane transport / cellular response to 3-methylcholanthrene / regulation of heart growth / negative regulation of T cell mediated immune response to tumor cell / cytosolic aryl hydrocarbon receptor complex / glomerulus morphogenesis / gland development / reactive oxygen species biosynthetic process / Phase I - Functionalization of compounds ...circumferential growth involved in left ventricle morphogenesis / negative regulation of calcium ion transmembrane transport / cellular response to 3-methylcholanthrene / regulation of heart growth / negative regulation of T cell mediated immune response to tumor cell / cytosolic aryl hydrocarbon receptor complex / glomerulus morphogenesis / gland development / reactive oxygen species biosynthetic process / Phase I - Functionalization of compounds / Xenobiotics / Aryl hydrocarbon receptor signalling / kidney morphogenesis / omega-hydroxylase P450 pathway / arachidonic acid omega-hydroxylase activity / positive regulation of growth rate / lymphocyte homeostasis / regulation of adaptive immune response / cellular response to 2,3,7,8-tetrachlorodibenzodioxine / Endogenous sterols / nuclear aryl hydrocarbon receptor complex / cardiac left ventricle morphogenesis / Aryl hydrocarbon receptor signalling / positive regulation of hormone biosynthetic process / negative regulation of osteoblast proliferation / cellular response to toxic substance / reproductive structure development / prostate gland development / aryl hydrocarbon receptor complex / B-1 B cell homeostasis / positive regulation of protein sumoylation / post-embryonic hemopoiesis / Xenobiotics / negative regulation of DNA biosynthetic process / camera-type eye development / vasculature development / negative regulation of systemic arterial blood pressure / Phase I - Functionalization of compounds / positive regulation of vascular endothelial growth factor receptor signaling pathway / blood circulation / blood vessel morphogenesis / Regulation of gene expression by Hypoxia-inducible Factor / negative regulation of vasoconstriction / branching involved in blood vessel morphogenesis / immune system process / blood vessel development / E-box binding / T cell homeostasis / aryl hydrocarbon receptor binding / B cell homeostasis / protein localization to nucleus / positive regulation of cell size / toxic substance binding / positive regulation of vascular endothelial growth factor production / embryonic placenta development / negative regulation of osteoblast differentiation / blood vessel remodeling / positive regulation of RNA polymerase II transcription preinitiation complex assembly / Endogenous sterols / cis-regulatory region sequence-specific DNA binding / ovarian follicle development / spleen development / positive regulation of endothelial cell proliferation / NPAS4 regulates expression of target genes / xenobiotic metabolic process / positive regulation of glycolytic process / B cell differentiation / positive regulation of erythrocyte differentiation / liver development / Hsp90 protein binding / circadian regulation of gene expression / cell morphogenesis / response to organic cyclic compound / PPARA activates gene expression / negative regulation of inflammatory response / RNA polymerase II transcription regulator complex / nuclear receptor activity / sequence-specific double-stranded DNA binding / cellular response to oxidative stress / protein-folding chaperone binding / RNA polymerase II-specific DNA-binding transcription factor binding / transcription regulator complex / sequence-specific DNA binding / transcription by RNA polymerase II / cell differentiation / nuclear body / transcription cis-regulatory region binding / response to hypoxia / DNA-binding transcription factor activity, RNA polymerase II-specific / response to xenobiotic stimulus / positive regulation of apoptotic process / cell cycle / RNA polymerase II cis-regulatory region sequence-specific DNA binding / protein heterodimerization activity / DNA-binding transcription factor activity / negative regulation of DNA-templated transcription / chromatin / regulation of DNA-templated transcription / regulation of transcription by RNA polymerase II / positive regulation of DNA-templated transcription Similarity search - Function | ||||||
Biological species | Homo sapiens (human) Mus musculus (house mouse) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 4 Å | ||||||
Authors | Seok, S.-H. / Lee, W. / Jiang, L. / Bradfield, C.A. / Xing, Y. | ||||||
Funding support | United States, 1items
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Citation | Journal: Proc. Natl. Acad. Sci. U.S.A. / Year: 2017 Title: Structural hierarchy controlling dimerization and target DNA recognition in the AHR transcriptional complex. Authors: Seok, S.H. / Lee, W. / Jiang, L. / Molugu, K. / Zheng, A. / Li, Y. / Park, S. / Bradfield, C.A. / Xing, Y. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 5v0l.cif.gz | 109 KB | Display | PDBx/mmCIF format |
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PDB format | pdb5v0l.ent.gz | 77.1 KB | Display | PDB format |
PDBx/mmJSON format | 5v0l.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/v0/5v0l ftp://data.pdbj.org/pub/pdb/validation_reports/v0/5v0l | HTTPS FTP |
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-Related structure data
Related structure data | 4zpkS S: Starting model for refinement |
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Similar structure data |
-Links
-Assembly
Deposited unit |
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1 |
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Unit cell |
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-Components
-Aryl hydrocarbon ... , 2 types, 2 molecules AB
#1: Protein | Mass: 31028.123 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Gene: ARNT, BHLHE2 / Plasmid: pQLinkH Details (production host): Vectors for co-expression of proteins Production host: Escherichia coli (E. coli) / References: UniProt: P27540 |
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#2: Protein | Mass: 27151.680 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Mus musculus (house mouse) / Gene: Ahr / Plasmid: pQLinkH Details (production host): Vectors for co-expression of proteins Production host: Escherichia coli (E. coli) / References: UniProt: P30561 |
-DNA chain , 2 types, 2 molecules CD
#3: DNA chain | Mass: 5307.445 Da / Num. of mol.: 1 / Source method: obtained synthetically / Source: (synth.) Homo sapiens (human) |
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#4: DNA chain | Mass: 4239.779 Da / Num. of mol.: 1 / Source method: obtained synthetically / Source: (synth.) Homo sapiens (human) |
-Non-polymers , 2 types, 4 molecules
#5: Chemical | #6: Chemical | |
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-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 2.87 Å3/Da / Density % sol: 57.09 % |
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Crystal grow | Temperature: 277 K / Method: evaporation Details: 10%-12% PEG 20000, 4-6% Tacsimate pH 7.0 or 0.1 M Bis-Tris pH 6.5 |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: APS / Beamline: 21-ID-G / Wavelength: 0.97857 Å |
Detector | Type: MARMOSAIC 300 mm CCD / Detector: CCD / Date: Jun 12, 2016 |
Radiation | Monochromator: C(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.97857 Å / Relative weight: 1 |
Reflection | Resolution: 3.9→50 Å / Num. obs: 6690 / % possible obs: 99.5 % / Redundancy: 7.9 % / Rpim(I) all: 0.075 / Net I/σ(I): 11 |
Reflection shell | Resolution: 3.9→3.97 Å / Redundancy: 5.9 % / Mean I/σ(I) obs: 1.5 / Num. unique obs: 669 / Rpim(I) all: 0.592 / % possible all: 96 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: 4ZPK Resolution: 4→39.685 Å / SU ML: 0.72 / Cross valid method: FREE R-VALUE / σ(F): 1.36 / Phase error: 46.41 / Stereochemistry target values: ML
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL | ||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 4→39.685 Å
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Refine LS restraints |
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LS refinement shell |
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