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Yorodumi- PDB-2c7r: HhaI DNA methyltransferase (T250G mutant) complex with oligonucle... -
+Open data
-Basic information
Entry | Database: PDB / ID: 2c7r | ||||||
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Title | HhaI DNA methyltransferase (T250G mutant) complex with oligonucleotide containing 2-aminopurine as a target base (GPGC:GMGC) and SAH | ||||||
Components |
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Keywords | TRANSFERASE/DNA / BASE FLIPPING / RESTRICTION SYSTEM / TRANSFERASE-DNA COMPLEX / TRANSFERASE | ||||||
Function / homology | Function and homology information DNA (cytosine-5-)-methyltransferase / DNA (cytosine-5-)-methyltransferase activity / DNA restriction-modification system / DNA binding Similarity search - Function | ||||||
Biological species | HAEMOPHILUS HAEMOLYTICUS (bacteria) SYNTHETIC CONSTRUCT (others) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.9 Å | ||||||
Authors | Daujotyte, D. / Grazulis, S. | ||||||
Citation | Journal: Nucleic Acids Res. / Year: 2005 Title: Time-Resolved Fluorescence of 2-Aminopurine as a Probe of Base Flipping in M.HhaI-DNA Complexes. Authors: Neely, R.K. / Daujotyte, D. / Grazulis, S. / Magennis, S.W. / Dryden, D.T.F. / Klimasauskas, S. / Jones, A.C. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 2c7r.cif.gz | 106.1 KB | Display | PDBx/mmCIF format |
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PDB format | pdb2c7r.ent.gz | 77.1 KB | Display | PDB format |
PDBx/mmJSON format | 2c7r.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/c7/2c7r ftp://data.pdbj.org/pub/pdb/validation_reports/c7/2c7r | HTTPS FTP |
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-Related structure data
Related structure data | 2c7oC 2c7pC 2c7qC 3mhtS 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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Unit cell |
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Components on special symmetry positions |
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Details | THE OLIGOMERIC STATE OF HHAI METHYLTRANSFERASE IS MONOMERIC, BUT SINCE IN THIS ENTRY, THE PROTEIN IS IN COMPLEX WITH DNA, THE QUATERNARY STRUCTURE FOR THIS ENTRY IS MARKED AS TRIMERIC. |
-Components
-Protein , 1 types, 1 molecules A
#1: Protein | Mass: 36998.156 Da / Num. of mol.: 1 / Mutation: YES Source method: isolated from a genetically manipulated source Source: (gene. exp.) HAEMOPHILUS HAEMOLYTICUS (bacteria) / Plasmid: PHH552 / Production host: ESCHERICHIA COLI (E. coli) / Strain (production host): ER1727 References: UniProt: P05102, DNA (cytosine-5-)-methyltransferase |
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-DNA chain , 2 types, 2 molecules CD
#2: DNA chain | Mass: 3717.443 Da / Num. of mol.: 1 / Source method: obtained synthetically / Source: (synth.) SYNTHETIC CONSTRUCT (others) |
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#3: DNA chain | Mass: 3647.393 Da / Num. of mol.: 1 / Source method: obtained synthetically / Source: (synth.) SYNTHETIC CONSTRUCT (others) |
-Non-polymers , 4 types, 284 molecules
#4: Chemical | ChemComp-SAH / | ||||
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#5: Chemical | ChemComp-SO4 / #6: Chemical | ChemComp-GOL / #7: Water | ChemComp-HOH / | |
-Details
Compound details | RECOGNIZES THE DOUBLE-STRANDED SEQUENCE GCGC, CAUSES SPECIFIC METHYLATION AND PROTECTS THE DNA FROM ...RECOGNIZES |
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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: 2.86 Å3/Da / Density % sol: 56.63 % |
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Crystal grow | pH: 5.6 Details: 50 MM NA CITRATE PH 5.6, 1.7 M AMMONIUM SULFATE, 5 % GLUCOSE |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: ESRF / Beamline: ID13 / Wavelength: 0.9755 |
Detector | Type: MARRESEARCH / Detector: CCD |
Radiation | Monochromator: SI(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.9755 Å / Relative weight: 1 |
Reflection | Resolution: 1.9→29.5 Å / Num. obs: 44234 / % possible obs: 99.9 % / Observed criterion σ(I): 2.8 / Redundancy: 6 % / Biso Wilson estimate: 11.8 Å2 / Rmerge(I) obs: 0.07 / Net I/σ(I): 8.4 |
Reflection shell | Resolution: 1.9→2 Å / Redundancy: 6 % / Rmerge(I) obs: 0.24 / Mean I/σ(I) obs: 2.8 / % possible all: 99.6 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: PDB ENTRY 3MHT Resolution: 1.9→29.5 Å / Rfactor Rfree error: 0.003 / Data cutoff high absF: 32993147.69 / Isotropic thermal model: RESTRAINED / Cross valid method: THROUGHOUT / σ(F): 0 Details: RESOLUTION-DEPENDENT WEIGHTING SCHEME USED. BULK SOLVENT MODEL USED.
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Solvent computation | Solvent model: FLAT MODEL / Bsol: 46.6143 Å2 / ksol: 0.391659 e/Å3 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 18.5 Å2
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Refine analyze |
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Refinement step | Cycle: LAST / Resolution: 1.9→29.5 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 1.9→2.02 Å / Rfactor Rfree error: 0.009 / Total num. of bins used: 6
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Xplor file |
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