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Yorodumi- PDB-6h8x: Beta-phosphoglucomutase from Lactococcus lactis in an open confor... -
+Open data
-Basic information
Entry | Database: PDB / ID: 6h8x | |||||||||
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Title | Beta-phosphoglucomutase from Lactococcus lactis in an open conformer complexed with magnesium trifluoride to 1.8 A. | |||||||||
Components | Beta-phosphoglucomutase | |||||||||
Keywords | ISOMERASE / phosphoglucomutase / magnesium trifluoride / metal fluoride / transition state analogue | |||||||||
Function / homology | Function and homology information beta-phosphoglucomutase / beta-phosphoglucomutase activity / carbohydrate metabolic process / magnesium ion binding / cytoplasm Similarity search - Function | |||||||||
Biological species | Lactococcus lactis subsp. lactis (lactic acid bacteria) | |||||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.83 Å | |||||||||
Authors | Robertson, A.J. / Bisson, C. / Waltho, J.P. | |||||||||
Funding support | United Kingdom, 2items
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Citation | Journal: To Be Published Title: Transition state of phospho-enzyme hydrolysis in beta-phosphoglucomutase. Authors: Robertson, A.J. / Bisson, C. / Waltho, J.P. | |||||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 6h8x.cif.gz | 104.5 KB | Display | PDBx/mmCIF format |
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PDB format | pdb6h8x.ent.gz | 78.7 KB | Display | PDB format |
PDBx/mmJSON format | 6h8x.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/h8/6h8x ftp://data.pdbj.org/pub/pdb/validation_reports/h8/6h8x | HTTPS FTP |
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-Related structure data
Related structure data | 6h8uC 6h8vC 6h8wC 6h8yC 6h8zC 6h90C 6h93C 6h94C 6hdfC 6hdgC 6hdhC 6hdiC 6hdjC 6hdkC 6hdlC 6hdmC 2wheS S: Starting model for refinement C: citing same article (ref.) |
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Similar structure data |
-Links
-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 AB
#1: Protein | Mass: 24239.594 Da / Num. of mol.: 2 / Mutation: K125R, Y206H Source method: isolated from a genetically manipulated source Source: (gene. exp.) Lactococcus lactis subsp. lactis (strain IL1403) (lactic acid bacteria) Strain: IL1403 / Gene: pgmB, LL0429, L0001 / Production host: Escherichia coli BL21(DE3) (bacteria) / References: UniProt: P71447, beta-phosphoglucomutase |
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-Non-polymers , 6 types, 227 molecules
#2: Chemical | #3: Chemical | ChemComp-EDO / #4: Chemical | #5: Chemical | ChemComp-ACT / | #6: Chemical | ChemComp-PDO / | #7: 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: 2.42 Å3/Da / Density % sol: 49.08 % |
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Crystal grow | Temperature: 291 K / Method: vapor diffusion, hanging drop / pH: 7.2 Details: Initial (open) crystals grown in: 24-32% PEG 4000 200 mM sodium acetate 50 mM TRIS pH 7.5 Crystals cryoprotected in original mother liquor plus: 25% ethylene glycol 15 mM sodium fluoride PH range: 7.2 |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: Diamond / Beamline: I04 / Wavelength: 0.9795 Å |
Detector | Type: DECTRIS PILATUS 6M-F / Detector: PIXEL / Date: Mar 10, 2018 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.9795 Å / Relative weight: 1 |
Reflection | Resolution: 1.83→23.4 Å / Num. obs: 39841 / % possible obs: 98.5 % / Redundancy: 7 % / CC1/2: 0.999 / Rmerge(I) obs: 0.1 / Rpim(I) all: 0.04 / Rrim(I) all: 0.108 / Net I/σ(I): 11.6 |
Reflection shell | Resolution: 1.83→1.86 Å / Redundancy: 7.2 % / Rmerge(I) obs: 1.258 / Num. unique obs: 1922 / CC1/2: 0.568 / Rpim(I) all: 0.501 / Rrim(I) all: 1.355 / % possible all: 97.8 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: 2WHE Resolution: 1.83→23.31 Å / Cor.coef. Fo:Fc: 0.965 / Cor.coef. Fo:Fc free: 0.947 / SU B: 3.6 / SU ML: 0.105 / Cross valid method: THROUGHOUT / ESU R: 0.135 / ESU R Free: 0.131 / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
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Solvent computation | Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 31.521 Å2
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Refinement step | Cycle: 1 / Resolution: 1.83→23.31 Å
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Refine LS restraints |
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