+Open data
-Basic information
Entry | Database: PDB / ID: 6o9a | ||||||
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Title | Crystal structure of MqnA complexed with 3-hydroxybenzoic acid | ||||||
Components | Chorismate dehydratase | ||||||
Keywords | LYASE / Menaquinone biosynthesis | ||||||
Function / homology | Function and homology information chorismate dehydratase / hydro-lyase activity / menaquinone biosynthetic process Similarity search - Function | ||||||
Biological species | Deinococcus radiodurans (radioresistant) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.326 Å | ||||||
Authors | Hicks, K.A. / Mahanta, N. / Naseem, S. / Fedoseyenko, D. / Begley, T.P. / Ealick, S.E. | ||||||
Funding support | United States, 1items
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Citation | Journal: Biochemistry / Year: 2019 Title: Menaquinone Biosynthesis: Biochemical and Structural Studies of Chorismate Dehydratase. Authors: Mahanta, N. / Hicks, K.A. / Naseem, S. / Zhang, Y. / Fedoseyenko, D. / Ealick, S.E. / Begley, T.P. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 6o9a.cif.gz | 120 KB | Display | PDBx/mmCIF format |
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PDB format | pdb6o9a.ent.gz | 90.2 KB | Display | PDB format |
PDBx/mmJSON format | 6o9a.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/o9/6o9a ftp://data.pdbj.org/pub/pdb/validation_reports/o9/6o9a | HTTPS FTP |
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-Related structure data
Related structure data | 2i6eS 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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Details | THE AUTHORS STATE THAT PISA INDICATES THAT MQNA IS DIMERIC, WHICH IS CONSISTENT WITH THE CALCULATED MOLECULAR WEIGHT FROM GEL FILTRATION. HOWEVER, BOTH 6O9A AND 2I6E, WHICH BELONG TO DIFFERENT SPACE GROUPS, DISPLAY A COMMON, CONSERVED HYDROPHILIC INTERFACE, WHICH GENERATES POTENTIAL TETRAMERS. |
-Components
#1: Protein | Mass: 34597.129 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Deinococcus radiodurans (strain ATCC 13939 / DSM 20539 / JCM 16871 / LMG 4051 / NBRC 15346 / NCIMB 9279 / R1 / VKM B-1422) (radioresistant) Strain: ATCC 13939 / DSM 20539 / JCM 16871 / LMG 4051 / NBRC 15346 / NCIMB 9279 / R1 / VKM B-1422 Gene: mqnA, DR_0370 / Production host: Escherichia coli (E. coli) / References: UniProt: Q9RXE3, chorismate dehydratase #2: Chemical | #3: Chemical | #4: Water | ChemComp-HOH / | |
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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: 2.94 Å3/Da / Density % sol: 58.18 % |
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Crystal grow | Temperature: 291 K / Method: vapor diffusion, hanging drop / pH: 5.5 Details: 0.1 M acetate (pH 5.5), 13% PEG 1500, 2.5 M sodium chloride (NaCl), and 1.5% 2-methyl-2,4-pentanediol (MPD) |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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Diffraction source | Source: SYNCHROTRON / Site: CHESS / Beamline: A1 / Wavelength: 0.918 Å | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Detector | Type: ADSC QUANTUM 210 / Detector: CCD / Date: Mar 11, 2011 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Radiation wavelength | Wavelength: 0.918 Å / Relative weight: 1 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Reflection | Resolution: 2.32→50 Å / Num. obs: 34973 / % possible obs: 98.9 % / Redundancy: 4 % / Rmerge(I) obs: 0.07 / Χ2: 2.134 / Net I/σ(I): 20.5 / Num. measured all: 138300 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Reflection shell |
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-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: 2I6E Resolution: 2.326→42.759 Å / SU ML: 0.25 / Cross valid method: THROUGHOUT / σ(F): 1.34 / Phase error: 22.85 / Stereochemistry target values: ML
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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 max: 79.26 Å2 / Biso mean: 31.2625 Å2 / Biso min: 13.08 Å2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: final / Resolution: 2.326→42.759 Å
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LS refinement shell | Refine-ID: X-RAY DIFFRACTION / Rfactor Rfree error: 0 / Total num. of bins used: 13
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