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Yorodumi- PDB-5er9: Structure of oxidized UDP-galactopyranose mutase from Mycobacteri... -
+Open data
-Basic information
Entry | Database: PDB / ID: 5er9 | |||||||||
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Title | Structure of oxidized UDP-galactopyranose mutase from Mycobacterium smegmatis in complex with UDP in mixed conformation and closed form | |||||||||
Components | UDP-galactopyranose mutase | |||||||||
Keywords | ISOMERASE / galactofuranose / enzyme conformation | |||||||||
Function / homology | Function and homology information UDP-galactopyranose mutase / UDP-galactopyranose mutase activity / nucleotide binding / metal ion binding Similarity search - Function | |||||||||
Biological species | Mycobacterium smegmatis (bacteria) | |||||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.689 Å | |||||||||
Authors | Wangkanont, K. / Kiessling, L.L. / Forest, K.T. | |||||||||
Funding support | United States, 2items
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Citation | Journal: to be published Title: Structural dynamics of UDP-galactopyranose mutase from Mycobacterium smegmatis Authors: Wangkanont, K. / Kiessling, L.L. / Forest, K.T. | |||||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 5er9.cif.gz | 214.2 KB | Display | PDBx/mmCIF format |
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PDB format | pdb5er9.ent.gz | 169.8 KB | Display | PDB format |
PDBx/mmJSON format | 5er9.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/er/5er9 ftp://data.pdbj.org/pub/pdb/validation_reports/er/5er9 | HTTPS FTP |
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-Related structure data
Related structure data | 5eqdSC 5f3rC 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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3 |
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Unit cell |
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Components on special symmetry positions |
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-Components
-Protein , 1 types, 2 molecules AB
#1: Protein | Mass: 45875.906 Da / Num. of mol.: 2 / Fragment: residues 13-412 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Mycobacterium smegmatis (bacteria) / Strain: ATCC 700084 / mc(2)155 / Gene: glf, MSMEG_6404, MSMEI_6236 / Plasmid: pMAL c5x Details (production host): malE ORF in pMAL c5x was removed and replaced with the ORF for UDP-galactopyranose mutase Production host: Escherichia coli (E. coli) / Strain (production host): BL21(DE3) / References: UniProt: A0R629, UDP-galactopyranose mutase |
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-Non-polymers , 5 types, 946 molecules
#2: Chemical | #3: Chemical | #4: Chemical | ChemComp-NO3 / #5: Chemical | ChemComp-SO4 / #6: 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: 3.01 Å3/Da / Density % sol: 59.1 % |
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Crystal grow | Temperature: 298 K / Method: vapor diffusion, hanging drop / pH: 8.5 Details: 100 mM Tris-HCl, 100 mM sodium nitrate, 1.8 M ammonium sulfate |
-Data collection
Diffraction | Mean temperature: 100 K | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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Diffraction source | Source: SYNCHROTRON / Site: APS / Beamline: 21-ID-F / Wavelength: 0.97872 Å | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Detector | Type: MARMOSAIC 225 mm CCD / Detector: CCD / Date: Oct 12, 2014 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Radiation | Monochromator: C(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Radiation wavelength | Wavelength: 0.97872 Å / Relative weight: 1 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Reflection | Resolution: 1.689→50 Å / Num. obs: 122178 / % possible obs: 100 % / Redundancy: 7.5 % / Biso Wilson estimate: 22.89 Å2 / Rmerge(I) obs: 0.093 / Rpim(I) all: 0.036 / Rrim(I) all: 0.099 / Χ2: 1.027 / Net I/av σ(I): 23.374 / Net I/σ(I): 7.9 / Num. measured all: 914126 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Reflection shell | Diffraction-ID: 1 / Rejects: 0
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-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: 5EQD Resolution: 1.689→42.513 Å / SU ML: 0.21 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 23.5 / 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: 94.61 Å2 / Biso mean: 27.3988 Å2 / Biso min: 10.62 Å2 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: final / Resolution: 1.689→42.513 Å
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Refine LS restraints |
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LS refinement shell | Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 10
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