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- PDB-8dwe: Adenine glycosylase MutY variant E43Q in complex with DNA contain... -
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Open data
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Basic information
Entry | Database: PDB / ID: 8dwe | |||||||||||||||
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Title | Adenine glycosylase MutY variant E43Q in complex with DNA containing d(8-oxo-G) paired with substrate purine | |||||||||||||||
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![]() | HYDROLASE/DNA / Protein-DNA complex / DNA repair / Base Excision Repair / HYDROLASE / HYDROLASE-DNA complex | |||||||||||||||
Function / homology | ![]() adenine glycosylase / adenine/guanine mispair binding / purine-specific mismatch base pair DNA N-glycosylase activity / DNA N-glycosylase activity / 8-oxo-7,8-dihydroguanine DNA N-glycosylase activity / oxidized purine DNA binding / mismatch repair / base-excision repair / 4 iron, 4 sulfur cluster binding / DNA binding / metal ion binding Similarity search - Function | |||||||||||||||
Biological species | ![]() ![]() synthetic construct (others) | |||||||||||||||
Method | ![]() ![]() ![]() | |||||||||||||||
![]() | Russelburg, L.P. / Demir, M. / David, S.S. / Horvath, M.P. | |||||||||||||||
Funding support | ![]()
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![]() | ![]() Title: Structural Basis for Base Engagement and Stereochemistry Revealed by Alteration of Catalytic Residue Glu43 in DNA Repair Glycosylase MutY Authors: Russelburg, L.P. / Demir, M. / Cedeno, K. / David, S.S. / Horvath, M.P. | |||||||||||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 559.7 KB | Display | ![]() |
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PDB format | ![]() | 385.8 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Related structure data | ![]() 8dwdC ![]() 8dwfC ![]() 6u7tS S: Starting model for refinement C: citing same article ( |
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Similar structure data | Similarity search - Function & homology ![]() |
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Links
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Assembly
Deposited unit | ![]()
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1 | ![]()
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2 | ![]()
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Unit cell |
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Components
-Protein , 1 types, 2 molecules AD
#1: Protein | Mass: 41772.613 Da / Num. of mol.: 2 / Mutation: E43Q Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() Gene: mutY / Production host: ![]() ![]() |
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-DNA chain , 2 types, 4 molecules BECF
#2: DNA chain | Mass: 3423.249 Da / Num. of mol.: 2 / Source method: obtained synthetically / Source: (synth.) synthetic construct (others) #3: DNA chain | Mass: 3309.169 Da / Num. of mol.: 2 / Source method: obtained synthetically / Source: (synth.) synthetic construct (others) |
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-Non-polymers , 5 types, 214 molecules ![](data/chem/img/SF4.gif)
![](data/chem/img/EDO.gif)
![](data/chem/img/CA.gif)
![](data/chem/img/TRS.gif)
![](data/chem/img/HOH.gif)
![](data/chem/img/EDO.gif)
![](data/chem/img/CA.gif)
![](data/chem/img/TRS.gif)
![](data/chem/img/HOH.gif)
#4: Chemical | #5: Chemical | #6: Chemical | ChemComp-CA / #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: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.55 Å3/Da / Density % sol: 51.9 % / Description: Brown, rod, rectangular |
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Crystal grow | Temperature: 295 K / Method: vapor diffusion, hanging drop Details: PEG 4000, calcium acetate, ethylene glycol, Tris.HCl, beta-mercaptoethanol Temp details: Ambient |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: DECTRIS PILATUS3 S 6M / Detector: PIXEL / Date: Dec 11, 2020 |
Radiation | Monochromator: Water-cooled flat double Si(111) Khozu monochromator Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.11583 Å / Relative weight: 1 |
Reflection | Resolution: 2.2→73.12 Å / Num. obs: 96293 / % possible obs: 99.7 % / Redundancy: 3.4 % / Biso Wilson estimate: 48.18 Å2 / CC1/2: 0.993 / Rmerge(I) obs: 0.115 / Net I/σ(I): 5.9 |
Reflection shell | Resolution: 2.2→2.26 Å / Redundancy: 3.4 % / Rmerge(I) obs: 1.675 / Mean I/σ(I) obs: 0.88 / Num. unique obs: 7112 / CC1/2: 0.3 / % possible all: 99.6 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 6U7T Resolution: 2.2→73.12 Å / SU ML: 0.3388 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 28.622 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: 59.79 Å2 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.2→73.12 Å
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Refine LS restraints |
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LS refinement shell |
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Refinement TLS params. | Method: refined / Refine-ID: X-RAY DIFFRACTION
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Refinement TLS group | Refine-ID: X-RAY DIFFRACTION
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