+Open data
-Basic information
Entry | Database: PDB / ID: 1ea4 | ||||||
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Title | TRANSCRIPTIONAL REPRESSOR COPG/22bp dsDNA COMPLEX | ||||||
Components |
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Keywords | GENE REGULATION/DNA / TRANSCRIPTIONAL REPRESSOR / DNA-BINDING PROTEIN / PLASMID / PROTEIN-DNA COMPLEX / GENE REGULATION-DNA complex | ||||||
Function / homology | Function and homology information plasmid maintenance / protein-DNA complex / sequence-specific DNA binding / regulation of DNA-templated transcription Similarity search - Function | ||||||
Biological species | STREPTOCOCCUS AGALACTIAE (bacteria) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.95 Å | ||||||
Authors | Gomis-Rueth, F.X. / Costa, M. / Sola, M. / Acebo, P. / Eritja, R. / Espinosa, M. / Solar, G.D. / Coll, M. | ||||||
Citation | Journal: J.Mol.Biol. / Year: 2001 Title: Plasmid Transcriptional Repressor Copg Oligomerises to Render Helical Superstructures Unbound and in Complexes with Oligonucleotides Authors: Costa, M. / Sola, M. / Del, G. / Eritja, R. / Hernaindez-Arriaga, A.M. / Espinosa, M. / Gomis-Rueth, F.X. / Coll, M. #1: Journal: Embo J. / Year: 1998 Title: The Structure of Plasmid-Encoded Transcriptional Repressor Copg Unliganded and Bound to its Operator Authors: Gomis-Rueth, F.X. / Sola, M. / Acebo, P. / Parraga, A. / Guasch, A. / Eritja, R. / Gonzalez, A. / Espinosa, M. / Solar, G.D. / Coll, M. #2: Journal: FEBS Lett. / Year: 1998 Title: Overexpression, Purification, Crystallization and Preliminary X-Ray Diffraction Analysis of the Pmv158-Encoded Plasmid Transcriptional Repressor Protein Copg Authors: Gomis-Rueth, F.X. / Sola, M. / Perez-Luque, R. / Acebo, P. / Alda, M.T. / Gonzalez, A. / Espinosa, M. / Solar, G.D. / Coll, M. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1ea4.cif.gz | 160.3 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1ea4.ent.gz | 124.9 KB | Display | PDB format |
PDBx/mmJSON format | 1ea4.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/ea/1ea4 ftp://data.pdbj.org/pub/pdb/validation_reports/ea/1ea4 | HTTPS FTP |
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-Related structure data
Related structure data | 1b01S 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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2 |
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3 |
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4 |
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Unit cell |
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Details | FUNCTIONAL TETRAMERS (EACH ONE CONTACTING A 22BP DSDNA)ARE DEFG, HJKL, AND ABA'B' (A' AND B' ARE SYMMETRYEQUIVALENT MOLECULES).TETRAMER DEFG CONTACTS DSDNA WX, HJKL PAIRS UV, ANDABA'B' INTERACTS WITH YZ(DOUBLE OCCUPANCY DUE TO CRYSTALLOGRAPHIC TWOFOLD AXIS)THE BIOMOLECULE 1 IS THE SUPERHELICAL STRUCTURE AND THETETRAMERS CAN BE GENERATED USING THE MATRICES GIVENFOR BIOMOLECULES 2 , 3 AND 4 |
-Components
#1: Protein/peptide | Mass: 5124.092 Da / Num. of mol.: 10 / Fragment: DNA-BINDING PROTEIN Source method: isolated from a genetically manipulated source Source: (gene. exp.) STREPTOCOCCUS AGALACTIAE (bacteria) / Cellular location: PLASMID PMV158 / Plasmid: PMV158 / Production host: ESCHERICHIA COLI (E. coli) / References: UniProt: P13920 #2: DNA chain | Mass: 6680.344 Da / Num. of mol.: 3 / Fragment: 22BP SSDNA - FIRST STRAND / Source method: obtained synthetically #3: DNA chain | Mass: 6822.412 Da / Num. of mol.: 3 / Fragment: 22BP SSDNA - SECOND STRAND / Source method: obtained synthetically #4: Water | ChemComp-HOH / | Compound details | REGULATES THE PLASMID COPY NUMBER BY BINDING TO THE REPAB PROMOTER THUS CONTROLING THE SYNTHESIS OF ...REGULATES THE PLASMID COPY NUMBER BY BINDING TO THE REPAB PROMOTER THUS CONTROLING | |
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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: 2.23 Å3/Da / Density % sol: 44.94 % Description: ONE COPG DIMER/ 9BP DSDNA MODEL WAS USED AS SEARCHING MODEL. | ||||||||||||||||||||||||||||||
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Crystal grow | pH: 4.6 / Details: MPD, NACL, NAACO, pH 4.60 | ||||||||||||||||||||||||||||||
Crystal grow | *PLUS Temperature: 4 ℃ / Method: vapor diffusion, hanging drop | ||||||||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 110 K |
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Diffraction source | Source: SYNCHROTRON / Site: ELETTRA / Beamline: 5.2R / Wavelength: 1.0527 |
Detector | Type: MARRESEARCH / Detector: IMAGE PLATE |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.0527 Å / Relative weight: 1 |
Reflection | Resolution: 2.92→43.85 Å / Num. obs: 17592 / % possible obs: 93.6 % / Redundancy: 5.9 % / Biso Wilson estimate: 80.8 Å2 / Rmerge(I) obs: 0.106 / Net I/σ(I): 5.9 |
Reflection | *PLUS Num. measured all: 103432 |
Reflection shell | *PLUS Highest resolution: 2.92 Å / Lowest resolution: 3.07 Å / % possible obs: 58.6 % / Rmerge(I) obs: 0.471 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: PDB ENTRY 1B01 Resolution: 2.95→40 Å / Cross valid method: THROUGHOUT / σ(F): 0 / Stereochemistry target values: MAXIMUM LIKELIHOOD Details: NOE RESTRAINTS FOR WATSON & CRICK BASE PAIRING. THE COMPLEX SET UP FOR CRYSTALLIZATION WAS MADE UP BY A COPG DIMER-OF-HOMODIMERS AND A 22-BP DSDNA. THERE ARE 2,5 OF THOSE COMPLEXES IN THE ...Details: NOE RESTRAINTS FOR WATSON & CRICK BASE PAIRING. THE COMPLEX SET UP FOR CRYSTALLIZATION WAS MADE UP BY A COPG DIMER-OF-HOMODIMERS AND A 22-BP DSDNA. THERE ARE 2,5 OF THOSE COMPLEXES IN THE ASYMMETRIC UNIT, DEFG+WX (PROTEIN + DNA), HJKL+UV, AND ABA'B'+YZ. THE LATTER REPRESENTS THE "HALF" COMPLEX. THE OTHER HALF IS CREATED BY A CRYSTALLOGRAPHIC TWOFOLD (RENDERING A' AND B'). THE DNA PART HAS BEEN MODELLED WITH THE TWO OBSERVED ORIENTATIONS, EACH WITH OCCUPANCY 0.5. THERE ARE NCS RESTRAINTS, BUT SO MANY THAT THE MATRICES AND TRANSLATIONS HAVE NOT BEEN INCLUDED IN THIS ENTRY. ESSENTIALLY, ALL PROTEIN CHAINS AND ALL DNA STRANDS HAVE BEEN SUBJECTED TO RESTRAINTS.
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Displacement parameters | Biso mean: 66.3 Å2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.95→40 Å
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Refine LS restraints |
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Refine LS restraints NCS | NCS model details: RESTRAINTS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Software | *PLUS Name: CNS / Version: 0.9/1.0 / Classification: refinement | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement | *PLUS Rfactor obs: 0.23 / Rfactor Rwork: 0.23 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Solvent computation | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | *PLUS |