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Yorodumi- PDB-8z2n: Crystal structure of 5-phosphomethyl-2'-deoxyuridine (5-PmdU) gly... -
+Open data
-Basic information
Entry | Database: PDB / ID: 8z2n | ||||||
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Title | Crystal structure of 5-phosphomethyl-2'-deoxyuridine (5-PmdU) glycinyltransferase gp46/PUGT from Pseudomonads phage PaMx11 in complex with dsDNA | ||||||
Components |
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Keywords | TRANSFERASE/DNA / Pseudomonads phage / DNA / hypermodification / glycinyltransferase / 5-phosphomethyl-2'-deoxyuridine / TRANSFERASE-DNA complex | ||||||
Function / homology | Function and homology information symbiont-mediated evasion of host restriction-modification system / transferase activity / symbiont-mediated suppression of host innate immune response / virus-mediated perturbation of host defense response Similarity search - Function | ||||||
Biological species | Pseudomonas phage PaMx11 (virus) synthetic construct (others) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.3 Å | ||||||
Authors | Wen, Y. / Guo, W.T. / Wu, B.X. | ||||||
Funding support | 1items
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Citation | Journal: Nucleic Acids Res. / Year: 2024 Title: Structural insights into the biosynthetic mechanism of N alpha-GlyT and 5-NmdU hypermodifications of DNA. Authors: Wen, Y. / Guo, W. / Meng, C. / Yang, J. / Xu, S. / Chen, H. / Gan, J. / Wu, B. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 8z2n.cif.gz | 325.6 KB | Display | PDBx/mmCIF format |
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PDB format | pdb8z2n.ent.gz | Display | PDB format | |
PDBx/mmJSON format | 8z2n.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 8z2n_validation.pdf.gz | 1.2 MB | Display | wwPDB validaton report |
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Full document | 8z2n_full_validation.pdf.gz | 1.2 MB | Display | |
Data in XML | 8z2n_validation.xml.gz | 25.5 KB | Display | |
Data in CIF | 8z2n_validation.cif.gz | 33.8 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/z2/8z2n ftp://data.pdbj.org/pub/pdb/validation_reports/z2/8z2n | HTTPS FTP |
-Related structure data
Related structure data | 8z2mSC 8z2oC 8z79C S: Starting model for refinement 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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Unit cell |
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Noncrystallographic symmetry (NCS) | NCS domain:
NCS domain segments:
NCS ensembles :
NCS oper:
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-Components
-Protein , 1 types, 2 molecules BCA00
#1: Protein | Mass: 33459.914 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Pseudomonas phage PaMx11 (virus) / Gene: PaMx11_46 / Production host: Escherichia coli BL21(DE3) (bacteria) / References: UniProt: A0A0S0MVI5 |
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-DNA chain , 2 types, 2 molecules CD
#2: DNA chain | Mass: 3966.597 Da / Num. of mol.: 1 / Source method: obtained synthetically / Source: (synth.) synthetic construct (others) |
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#3: DNA chain | Mass: 3975.611 Da / Num. of mol.: 1 / Source method: obtained synthetically / Source: (synth.) synthetic construct (others) |
-Non-polymers , 5 types, 50 molecules
#4: Chemical | #5: Chemical | #6: Chemical | ChemComp-GOL / | #7: Chemical | #8: 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: 2.98 Å3/Da / Density % sol: 58.69 % |
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Crystal grow | Temperature: 293 K / Method: vapor diffusion, hanging drop Details: 20% (w/v) PEG 8,000, 0.1M MES/Sodium hydroxide pH 6.0, 0.2M Calcium acetate |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: SYNCHROTRON / Site: SSRF / Beamline: BL02U1 / Wavelength: 0.97915 Å |
Detector | Type: DECTRIS EIGER X 16M / Detector: PIXEL / Date: Oct 15, 2022 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.97915 Å / Relative weight: 1 |
Reflection | Resolution: 2.3→30 Å / Num. obs: 40612 / % possible obs: 99.9 % / Redundancy: 13.5 % / Biso Wilson estimate: 45.64 Å2 / CC1/2: 0.999 / Rmerge(I) obs: 0.154 / Rpim(I) all: 0.043 / Rrim(I) all: 0.16 / Net I/σ(I): 12.7 |
Reflection shell | Resolution: 2.3→2.42 Å / Redundancy: 13.9 % / Rmerge(I) obs: 1.798 / Mean I/σ(I) obs: 1.5 / Num. unique obs: 5841 / CC1/2: 0.827 / Rpim(I) all: 0.496 / Rrim(I) all: 0.866 / % possible all: 99.9 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: 8Z2M Resolution: 2.3→29 Å / SU ML: 0.3112 / Cross valid method: FREE R-VALUE / σ(F): 1.33 / Phase error: 33.488 Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 57.86 Å2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.3→29 Å
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Refine LS restraints |
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Refine LS restraints NCS |
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LS refinement shell |
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Refinement TLS params. | Method: refined / Origin x: 43.4453268248 Å / Origin y: 24.3929293907 Å / Origin z: 24.4363966068 Å
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Refinement TLS group | Selection details: all |