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Yorodumi- PDB-5mht: TERNARY STRUCTURE OF HHAI METHYLTRANSFERASE WITH HEMIMETHYLATED D... -
+Open data
-Basic information
Entry | Database: PDB / ID: 5mht | ||||||
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Title | TERNARY STRUCTURE OF HHAI METHYLTRANSFERASE WITH HEMIMETHYLATED DNA AND ADOHCY | ||||||
Components |
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Keywords | TRANSFERASE/DNA / TRANSFERASE / METHYLTRANSFERASE / RESTRICTION SYSTEM / COMPLEX (METHYLTRANSFERASE-DNA) / TRANSFERASE-DNA complex | ||||||
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) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / Resolution: 2.7 Å | ||||||
Authors | Cheng, X. | ||||||
Citation | Journal: J.Mol.Biol. / Year: 1996 Title: A structural basis for the preferential binding of hemimethylated DNA by HhaI DNA methyltransferase. Authors: O'Gara, M. / Roberts, R.J. / Cheng, X. #1: Journal: J.Mol.Biol. / Year: 1996 Title: Enzymatic C5-Cytosine Methylation of DNA: Mechanistic Implications of New Crystal Structures for HhaI Methyltransferase-DNA-Adohcy Complexes Authors: O'Gara, M. / Klimasauskas, S. / Roberts, R.J. / Cheng, X. #2: Journal: Cell(Cambridge,Mass.) / Year: 1994 Title: HhaI Methyltransferase Flips its Target Base Out of the DNA Helix Authors: Klimasauskas, S. / Kumar, S. / Roberts, R.J. / Cheng, X. #3: Journal: Cell(Cambridge,Mass.) / Year: 1993 Title: Crystal Structure of the HhaI DNA Methyltransferase Complexed with S-Adenosyl- L-Methionine Authors: Cheng, X. / Kumar, S. / Posfai, J. / Pflugrath, J.W. / Roberts, R.J. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 5mht.cif.gz | 99.9 KB | Display | PDBx/mmCIF format |
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PDB format | pdb5mht.ent.gz | 73.3 KB | Display | PDB format |
PDBx/mmJSON format | 5mht.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/mh/5mht ftp://data.pdbj.org/pub/pdb/validation_reports/mh/5mht | HTTPS FTP |
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-Related structure data
Similar structure data |
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-Links
-Assembly
Deposited unit |
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1 |
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Unit cell |
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-Components
#1: DNA chain | Mass: 3637.395 Da / Num. of mol.: 1 / Source method: obtained synthetically |
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#2: DNA chain | Mass: 3703.416 Da / Num. of mol.: 1 / Source method: obtained synthetically |
#3: Protein | Mass: 37042.207 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Haemophilus haemolyticus (bacteria) / References: UniProt: P05102, EC: 2.1.1.7 |
#4: Chemical | ChemComp-SAH / |
#5: Water | ChemComp-HOH / |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 3.52 Å3/Da / Density % sol: 65.01 % | ||||||||||||||||||||||||
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Crystal grow | pH: 6.5 Details: 10% PEG 8000, 50 MM CA-ACETATE, 50 MM SODIUM CACODYLATE PH 6.5 | ||||||||||||||||||||||||
Crystal grow | *PLUS Temperature: 16 ℃ / Method: unknown | ||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 293 K |
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Diffraction source | Source: SYNCHROTRON / Site: NSLS / Beamline: X12C |
Detector | Type: MARRESEARCH / Detector: IMAGE PLATE |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Relative weight: 1 |
Reflection | Resolution: 2.7→30 Å / Num. obs: 16761 / % possible obs: 95.1 % / Observed criterion σ(F): 1 / Observed criterion σ(I): 0.5 / Redundancy: 4.6 % / Rmerge(I) obs: 0.077 |
Reflection | *PLUS Highest resolution: 2.7 Å / Lowest resolution: 30 Å / Observed criterion σ(I): 1 / Redundancy: 4.6 % |
-Processing
Software |
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Refinement | Resolution: 2.7→20 Å / σ(F): 1 Details: WATER MOLECULE 345 IS SURROUNDED BY THREE POSITIVELY CHANGED RESIDUES: ARG 245, LYS 193, AND SYMMETRY-RELATED LYS 290. HOWEVER, THE DENSITY IS NOT GOOD ENOUGH TO IDENTIFY WHAT IT MIGHT BE. ...Details: WATER MOLECULE 345 IS SURROUNDED BY THREE POSITIVELY CHANGED RESIDUES: ARG 245, LYS 193, AND SYMMETRY-RELATED LYS 290. HOWEVER, THE DENSITY IS NOT GOOD ENOUGH TO IDENTIFY WHAT IT MIGHT BE. WATER MOLECULE 392 IS SITUATED IN BETWEEN TWO DNA PHOSPHATE GROUPS OF A 430 D AND T 431 D. CA-ACETATE WAS USED AS BUFFER. HOWEVER, THE DENSITY IS NOT GOOD ENOUGH TO DETERMINE WHETHER IT IS A CA(2+) FOR SURE.
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Refinement step | Cycle: LAST / Resolution: 2.7→20 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2.7→2.82 Å / Total num. of bins used: 8
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Software | *PLUS Name: X-PLOR / Version: 3.1 / Classification: refinement | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement | *PLUS Highest resolution: 2.7 Å / Lowest resolution: 20 Å / σ(F): 1 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Solvent computation | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refine LS restraints | *PLUS
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LS refinement shell | *PLUS Rfactor obs: 0.271 |