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Yorodumi- PDB-4cis: Structure of MutM in complex with carbocyclic 8-oxo-G containing DNA -
+Open data
-Basic information
Entry | Database: PDB / ID: 4cis | |||||||||
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Title | Structure of MutM in complex with carbocyclic 8-oxo-G containing DNA | |||||||||
Components |
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Keywords | HYDROLASE / BASE EXCISION REPAIR / DNA REPAIR | |||||||||
Function / homology | Function and homology information oxidized purine nucleobase lesion DNA N-glycosylase activity / DNA-formamidopyrimidine glycosylase / class I DNA-(apurinic or apyrimidinic site) endonuclease activity / DNA-(apurinic or apyrimidinic site) lyase / nucleotide-excision repair / base-excision repair / damaged DNA binding / zinc ion binding Similarity search - Function | |||||||||
Biological species | Lactococcus lactis subsp. cremoris (lactic acid bacteria) synthetic construct (others) | |||||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.05 Å | |||||||||
Authors | Schneider, S. / Sadeghian, K. / Flaig, D. / Blank, I.D. / Strasser, R. / Stathis, D. / Winnacker, M. / Carell, T. / Ochsenfeld, C. | |||||||||
Citation | Journal: Angew. Chem. Int. Ed. Engl. / Year: 2014 Title: Ribose-protonated DNA base excision repair: a combined theoretical and experimental study. Authors: Sadeghian, K. / Flaig, D. / Blank, I.D. / Schneider, S. / Strasser, R. / Stathis, D. / Winnacker, M. / Carell, T. / Ochsenfeld, C. | |||||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 4cis.cif.gz | 262.2 KB | Display | PDBx/mmCIF format |
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PDB format | pdb4cis.ent.gz | 209.2 KB | Display | PDB format |
PDBx/mmJSON format | 4cis.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 4cis_validation.pdf.gz | 471.8 KB | Display | wwPDB validaton report |
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Full document | 4cis_full_validation.pdf.gz | 476.5 KB | Display | |
Data in XML | 4cis_validation.xml.gz | 23 KB | Display | |
Data in CIF | 4cis_validation.cif.gz | 32.3 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/ci/4cis ftp://data.pdbj.org/pub/pdb/validation_reports/ci/4cis | HTTPS FTP |
-Related structure data
Related structure data | 1xc8S S: Starting model for refinement |
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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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Noncrystallographic symmetry (NCS) | NCS oper: (Code: given Matrix: (0.9764, 0.00588, 0.2157), Vector: |
-Components
-Protein , 1 types, 2 molecules AB
#1: Protein | Mass: 32561.838 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Lactococcus lactis subsp. cremoris (lactic acid bacteria) Plasmid: PPSG-IBA3 / Production host: Escherichia coli BL21 (bacteria) References: UniProt: Q031W6, DNA-formamidopyrimidine glycosylase |
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-DNA chain , 2 types, 2 molecules CD
#2: DNA chain | Mass: 4355.884 Da / Num. of mol.: 1 / Source method: obtained synthetically / Source: (synth.) synthetic construct (others) |
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#3: DNA chain | Mass: 4217.750 Da / Num. of mol.: 1 / Source method: obtained synthetically / Source: (synth.) synthetic construct (others) |
-Non-polymers , 3 types, 138 molecules
#4: Chemical | #5: Chemical | ChemComp-BU3 / ( | #6: Water | ChemComp-HOH / | |
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-Details
Nonpolymer details | CARBOCYCLISequence details | C-TERMINAL STREP-TAG CONTAINS CARBOCYCLI | |
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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: 2.65 Å3/Da / Density % sol: 53 % / Description: NONE |
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Crystal grow | Details: 100 MM TRIS PH 7.5, 2 MM SPERMIDINE, 1 MM TCEP, 0.01MM ZNCL2 , 90 MM LISO4, 18% PEG 4000 |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: SLS / Beamline: X06SA / Wavelength: 1.0763 |
Detector | Type: MARRESEARCH / Detector: CCD / Date: Jul 4, 2009 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.0763 Å / Relative weight: 1 |
Reflection | Resolution: 2.05→40.93 Å / Num. obs: 41439 / % possible obs: 99.9 % / Observed criterion σ(I): 1.5 / Redundancy: 5.9 % / Rmerge(I) obs: 0.15 / Net I/σ(I): 10.73 |
Reflection shell | Resolution: 2.05→2.12 Å / Redundancy: 4.7 % / Rmerge(I) obs: 1.18 / Mean I/σ(I) obs: 1.5 / % possible all: 99.3 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: PDB ENTRY 1XC8 Resolution: 2.05→40.93 Å / Cor.coef. Fo:Fc: 0.935 / Cor.coef. Fo:Fc free: 0.927 / SU B: 9.912 / SU ML: 0.136 / Cross valid method: THROUGHOUT / ESU R: 0.227 / ESU R Free: 0.178 / Stereochemistry target values: MAXIMUM LIKELIHOOD Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. U VALUES WITH TLS ADDED
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Solvent computation | Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 30.072 Å2
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Refinement step | Cycle: LAST / Resolution: 2.05→40.93 Å
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Refine LS restraints |
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