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- PDB-2wf6: Structure of Beta-Phosphoglucomutase inhibited with Glucose-6-pho... -
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Open data
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Basic information
Entry | Database: PDB / ID: 2wf6 | ||||||
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Title | Structure of Beta-Phosphoglucomutase inhibited with Glucose-6-phosphate and Aluminium tetrafluoride | ||||||
![]() | BETA-PHOSPHOGLUCOMUTASE | ||||||
![]() | ISOMERASE / PHOSPHOTRANSFERASE / TRANSITION STATE ANALOGUE / HALOACID DEHALOGENASE SUPERFAMILY | ||||||
Function / homology | ![]() beta-phosphoglucomutase / beta-phosphoglucomutase activity / carbohydrate metabolic process / magnesium ion binding / cytoplasm Similarity search - Function | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Bowler, M.W. / Baxter, N.J. / Webster, C.E. / Pollard, S. / Alizadeh, T. / Hounslow, A.M. / Cliff, M.J. / Bermel, W. / Williams, N.H. / Hollfelder, F. ...Bowler, M.W. / Baxter, N.J. / Webster, C.E. / Pollard, S. / Alizadeh, T. / Hounslow, A.M. / Cliff, M.J. / Bermel, W. / Williams, N.H. / Hollfelder, F. / Blackburn, G.M. / Waltho, J.P. | ||||||
![]() | ![]() Title: Atomic details of near-transition state conformers for enzyme phosphoryl transfer revealed by MgF-3 rather than by phosphoranes. Authors: Baxter, N.J. / Bowler, M.W. / Alizadeh, T. / Cliff, M.J. / Hounslow, A.M. / Wu, B. / Berkowitz, D.B. / Williams, N.H. / Blackburn, G.M. / Waltho, J.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 | ![]() | 110.4 KB | Display | ![]() |
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PDB format | ![]() | 83 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Related structure data | ![]() 2wf5SC ![]() 2wheC S: Starting model for refinement C: citing same article ( |
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Similar structure data |
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Links
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Assembly
Deposited unit | ![]()
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Unit cell |
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Components
#1: Protein | Mass: 24239.594 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() Strain: 19435 / Plasmid: PET22B / Production host: ![]() ![]() | ||||
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#2: Chemical | ChemComp-ALF / | ||||
#3: Chemical | #4: Sugar | ChemComp-BG6 / | #5: Water | ChemComp-HOH / | |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 1.93 Å3/Da / Density % sol: 35.72 % / Description: NONE |
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Crystal grow | pH: 7.2 / Details: 19-21 % PEG 3350 AND 50 MM MG ACETATE, pH 7.2 |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: ADSC CCD / Detector: CCD / Details: GE211 |
Radiation | Monochromator: DIAMOND111 / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.933 Å / Relative weight: 1 |
Reflection | Resolution: 1.4→20 Å / Num. obs: 43021 / % possible obs: 99.1 % / Observed criterion σ(I): 3 / Redundancy: 3.8 % / Biso Wilson estimate: 11.9 Å2 / Rmerge(I) obs: 0.1 / Net I/σ(I): 7.3 |
Reflection shell | Resolution: 1.4→1.44 Å / Redundancy: 3.5 % / Rmerge(I) obs: 0.37 / Mean I/σ(I) obs: 2.2 / % possible all: 99.4 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: PDB ENTRY 2WF5 Resolution: 1.4→20 Å / Cor.coef. Fo:Fc: 0.966 / Cor.coef. Fo:Fc free: 0.955 / SU B: 2.164 / SU ML: 0.039 / Cross valid method: THROUGHOUT / ESU R: 0.068 / ESU R Free: 0.061 / Stereochemistry target values: MAXIMUM LIKELIHOOD Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. THE ATOMS OF THE ALUMINIUM FLUORIDE WERE REFINED WITHOUT RESTRAINTS.
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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: BABINET MODEL WITH MASK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 11.19 Å2
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Refinement step | Cycle: LAST / Resolution: 1.4→20 Å
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Refine LS restraints |
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