+Open data
-Basic information
Entry | Database: PDB / ID: 3rc0 | ||||||
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Title | Human SETD6 in complex with RelA Lys310 peptide | ||||||
Components |
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Keywords | TRANSFERASE / Epigenetics / protein lysine monomethylation / Mammalian nuclear factor kB (NF-kB) | ||||||
Function / homology | Function and homology information peptidyl-lysine monomethylation / acetaldehyde metabolic process / prolactin signaling pathway / DEx/H-box helicases activate type I IFN and inflammatory cytokines production / NF-kappaB p50/p65 complex / IkBA variant leads to EDA-ID / positive regulation of Schwann cell differentiation / Regulated proteolysis of p75NTR / cellular response to peptidoglycan / ankyrin repeat binding ...peptidyl-lysine monomethylation / acetaldehyde metabolic process / prolactin signaling pathway / DEx/H-box helicases activate type I IFN and inflammatory cytokines production / NF-kappaB p50/p65 complex / IkBA variant leads to EDA-ID / positive regulation of Schwann cell differentiation / Regulated proteolysis of p75NTR / cellular response to peptidoglycan / ankyrin repeat binding / RIP-mediated NFkB activation via ZBP1 / protein-lysine N-methyltransferase activity / CLEC7A/inflammasome pathway / SUMOylation of immune response proteins / S-adenosyl-L-methionine binding / negative regulation of protein sumoylation / nucleotide-binding oligomerization domain containing 2 signaling pathway / postsynapse to nucleus signaling pathway / defense response to tumor cell / Interleukin-1 processing / cellular response to interleukin-6 / negative regulation of non-canonical NF-kappaB signal transduction / actinin binding / NF-kappaB complex / cellular response to angiotensin / response to UV-B / interleukin-1-mediated signaling pathway / vascular endothelial growth factor signaling pathway / toll-like receptor 4 signaling pathway / Regulation of NFE2L2 gene expression / positive regulation of leukocyte adhesion to vascular endothelial cell / positive regulation of miRNA metabolic process / cellular response to hepatocyte growth factor stimulus / positive regulation of amyloid-beta formation / stem cell population maintenance / positive regulation of T cell receptor signaling pathway / response to cobalamin / negative regulation of NF-kappaB transcription factor activity / phosphate ion binding / non-canonical NF-kappaB signal transduction / TRAF6 mediated NF-kB activation / cellular response to lipoteichoic acid / response to muramyl dipeptide / The NLRP3 inflammasome / general transcription initiation factor binding / Transcriptional Regulation by VENTX / NF-kappaB binding / hair follicle development / neuropeptide signaling pathway / positive regulation of vascular endothelial growth factor production / RNA polymerase II core promoter sequence-specific DNA binding / response to amino acid / cellular response to interleukin-1 / canonical NF-kappaB signal transduction / cellular defense response / Purinergic signaling in leishmaniasis infection / response to cAMP / negative regulation of insulin receptor signaling pathway / tumor necrosis factor-mediated signaling pathway / response to muscle stretch / Transferases; Transferring one-carbon groups; Methyltransferases / NF-kB is activated and signals survival / positive regulation of interleukin-12 production / CD209 (DC-SIGN) signaling / response to interleukin-1 / negative regulation of angiogenesis / negative regulation of miRNA transcription / response to progesterone / liver development / response to organic substance / positive regulation of interleukin-1 beta production / response to cytokine / positive regulation of interleukin-8 production / response to ischemia / stem cell differentiation / Dectin-1 mediated noncanonical NF-kB signaling / negative regulation of extrinsic apoptotic signaling pathway / Activation of NF-kappaB in B cells / RNA polymerase II transcription regulatory region sequence-specific DNA binding / peptide binding / animal organ morphogenesis / protein catabolic process / TAK1-dependent IKK and NF-kappa-B activation / response to insulin / negative regulation of protein catabolic process / transcription coactivator binding / chromatin DNA binding / cellular response to hydrogen peroxide / PKMTs methylate histone lysines / CLEC7A (Dectin-1) signaling / DNA-binding transcription repressor activity, RNA polymerase II-specific / FCERI mediated NF-kB activation / Transcriptional regulation of white adipocyte differentiation / positive regulation of interleukin-6 production / positive regulation of miRNA transcription / Interleukin-1 signaling / cytokine-mediated signaling pathway / positive regulation of non-canonical NF-kappaB signal transduction / cellular response to nicotine / histone deacetylase binding Similarity search - Function | ||||||
Biological species | Homo sapiens (human) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MIR / Resolution: 2.19 Å | ||||||
Authors | Chang, Y. / Levy, D. / Horton, J.R. / Peng, J. / Zhang, X. / Gozani, O. / Cheng, X. | ||||||
Citation | Journal: Nucleic Acids Res. / Year: 2011 Title: Structural basis of SETD6-mediated regulation of the NF-kB network via methyl-lysine signaling. Authors: Chang, Y. / Levy, D. / Horton, J.R. / Peng, J. / Zhang, X. / Gozani, O. / Cheng, X. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 3rc0.cif.gz | 193.1 KB | Display | PDBx/mmCIF format |
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PDB format | pdb3rc0.ent.gz | 149.6 KB | Display | PDB format |
PDBx/mmJSON format | 3rc0.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/rc/3rc0 ftp://data.pdbj.org/pub/pdb/validation_reports/rc/3rc0 | HTTPS FTP |
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-Related structure data
Related structure data | 3qxySC S: Starting model for refinement C: citing same article (ref.) |
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Similar structure data |
-Links
-Assembly
Deposited unit |
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1 |
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2 |
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Unit cell |
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-Components
#1: Protein | Mass: 50837.816 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Gene: SETD6 / Plasmid: pXC862 / Production host: Escherichia coli (E. coli) References: UniProt: Q8TBK2, Transferases; Transferring one-carbon groups; Methyltransferases #2: Protein/peptide | Mass: 1909.300 Da / Num. of mol.: 2 / Fragment: UNP Q04206 residues 302-316 / Source method: obtained synthetically Details: The peptide was chemically synthesized. The sequence of the peptide is naturally found in Homo sapiens (human). Source: (synth.) Homo sapiens (human) / References: UniProt: Q04206 #3: Chemical | ChemComp-EDO / #4: Chemical | #5: Water | ChemComp-HOH / | Sequence details | THIS SEQUENCE CORRESPOND | |
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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: 2.36 Å3/Da / Density % sol: 47.79 % |
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Crystal grow | Temperature: 289 K / Method: vapor diffusion / pH: 4.6 Details: 15% (w/v) polyethylene glycol (PEG) 3350, 0.1 M di-ammonium hydrogen citrate, pH 4.6, VAPOR DIFFUSION, temperature 289K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: APS / Beamline: 22-ID / Wavelength: 0.97918 Å |
Detector | Type: MARMOSAIC 300 mm CCD / Detector: CCD / Date: Jun 21, 2010 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.97918 Å / Relative weight: 1 |
Reflection | Resolution: 2.19→34.72 Å / Num. obs: 48552 / % possible obs: 98.4 % / Observed criterion σ(I): -3 / Redundancy: 3.6 % / Biso Wilson estimate: 22.27 Å2 / Rmerge(I) obs: 0.122 / Net I/σ(I): 11.4 |
Reflection shell | Resolution: 2.19→2.27 Å / Redundancy: 3.2 % / Rmerge(I) obs: 0.427 / Mean I/σ(I) obs: 2.4 / Num. unique all: 4776 / % possible all: 97.4 |
-Processing
Software |
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Refinement | Method to determine structure: MIR Starting model: PDB ENTRY 3QXY Resolution: 2.19→34.72 Å / SU ML: 0.31 / Cross valid method: THROUGHOUT / σ(F): 0.04 / Phase error: 22.03 / 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 / Bsol: 39.727 Å2 / ksol: 0.335 e/Å3 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters |
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Refinement step | Cycle: LAST / Resolution: 2.19→34.72 Å
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Refine LS restraints |
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LS refinement shell |
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