+Open data
-Basic information
Entry | Database: PDB / ID: 7vru | ||||||
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Title | Crystal structure of PacII_M1M2S-DNA-SAH complex | ||||||
Components |
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Keywords | TRANSFERASE/DNA / Type I R-M system PacII methytransferase m4C and m6A modification complex / BIOSYNTHETIC PROTEIN / TRANSFERASE-DNA complex | ||||||
Function / homology | Function and homology information N-methyltransferase activity / site-specific DNA-methyltransferase (adenine-specific) / site-specific DNA-methyltransferase (adenine-specific) activity / DNA binding Similarity search - Function | ||||||
Biological species | Pseudomonas alcaligenes (bacteria) synthetic construct (others) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / SAD / Resolution: 2.4 Å | ||||||
Authors | Zhu, J. / Gao, P. | ||||||
Funding support | China, 1items
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Citation | Journal: Nat Commun / Year: 2022 Title: Molecular insights into DNA recognition and methylation by non-canonical type I restriction-modification systems. Authors: Zhu, J. / Gao, Y. / Wang, Y. / Zhan, Q. / Feng, H. / Luo, X. / Li, P. / Liu, S. / Hou, H. / Gao, P. #1: Journal: Acta Crystallogr., Sect. D: Biol. Crystallogr. / Year: 2012 Title: Structural basis underlying complex assembly and conformational transition of the type I R-M system Authors: Yanping, L. / Xiaoxue, Y. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 7vru.cif.gz | 728.7 KB | Display | PDBx/mmCIF format |
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PDB format | pdb7vru.ent.gz | 501.1 KB | Display | PDB format |
PDBx/mmJSON format | 7vru.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/vr/7vru ftp://data.pdbj.org/pub/pdb/validation_reports/vr/7vru | HTTPS FTP |
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-Related structure data
Related structure data | 7vs4C C: citing same article (ref.) |
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Similar structure data | Similarity search - Function & homologyF&H Search |
-Links
-Assembly
Deposited unit |
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1 |
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Unit cell |
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-Components
-Site-specific DNA-methyltransferase (adenine- ... , 2 types, 2 molecules BA
#1: Protein | Mass: 58123.207 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Pseudomonas alcaligenes (bacteria) / Gene: A0T30_13470 / Production host: Escherichia coli (E. coli) / References: UniProt: A0A142ISP2 |
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#5: Protein | Mass: 56900.398 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Pseudomonas alcaligenes (bacteria) / Gene: A0T30_13480 / Production host: Escherichia coli (E. coli) References: UniProt: A0A142ISP4, site-specific DNA-methyltransferase (adenine-specific) |
-Protein , 1 types, 1 molecules C
#2: Protein | Mass: 43180.484 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Pseudomonas alcaligenes (bacteria) / Gene: pacIIS / Production host: Escherichia coli (E. coli) |
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-DNA chain , 2 types, 2 molecules HI
#3: DNA chain | Mass: 7620.953 Da / Num. of mol.: 1 / Source method: obtained synthetically / Source: (synth.) synthetic construct (others) |
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#4: DNA chain | Mass: 7735.979 Da / Num. of mol.: 1 / Source method: obtained synthetically / Source: (synth.) synthetic construct (others) |
-Non-polymers , 2 types, 285 molecules
#6: Chemical | #7: Water | ChemComp-HOH / | |
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-Details
Has ligand of interest | Y |
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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: 2.74 Å3/Da / Density % sol: 51.8 % / Description: biconical |
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Crystal grow | Temperature: 293 K / Method: vapor diffusion, hanging drop / Details: 0.1 M Imidazole (pH 6.7-7.2), 37%-40% PEG 400 / PH range: 6.7-7.2 |
-Data collection
Diffraction | Mean temperature: 80 K / Serial crystal experiment: N |
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Diffraction source | Source: SYNCHROTRON / Site: SSRF / Beamline: BL18U1 / Wavelength: 0.978 Å |
Detector | Type: DECTRIS EIGER2 S 4M / Detector: PIXEL / Date: May 12, 2020 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.978 Å / Relative weight: 1 |
Reflection | Resolution: 2.4→41.24 Å / Num. obs: 69399 / % possible obs: 99.29 % / Redundancy: 2 % / Biso Wilson estimate: 51.6 Å2 / CC1/2: 0.998 / CC star: 1 / Rmerge(I) obs: 0.03114 / Rpim(I) all: 0.03114 / Rrim(I) all: 0.04404 / Net I/σ(I): 17.54 |
Reflection shell | Resolution: 2.402→2.488 Å / Redundancy: 2 % / Rmerge(I) obs: 0.2469 / Mean I/σ(I) obs: 2.22 / Num. unique obs: 6698 / CC1/2: 0.856 / CC star: 0.96 / Rpim(I) all: 0.2469 / Rrim(I) all: 0.3492 / % possible all: 97.19 |
-Processing
Software |
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Refinement | Method to determine structure: SAD / Resolution: 2.4→41.24 Å / SU ML: 0.2987 / Cross valid method: FREE R-VALUE / σ(F): 1.36 / Phase error: 25.7761 Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 59.02 Å2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.4→41.24 Å
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Refine LS restraints |
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LS refinement shell |
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Refinement TLS params. | Method: refined / Origin x: 10.0915685179 Å / Origin y: 69.8399108756 Å / Origin z: 91.2792063254 Å
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Refinement TLS group | Selection details: all |