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Yorodumi- PDB-5k41: Structure of Mycobacterium thermoresistibile trehalose-6-phosphat... -
+Open data
-Basic information
Entry | Database: PDB / ID: 5k41 | ||||||
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Title | Structure of Mycobacterium thermoresistibile trehalose-6-phosphate synthase in a complex with ADP-glucose. | ||||||
Components | Alpha,alpha-trehalose-phosphate synthase | ||||||
Keywords | TRANSFERASE / OtsA trehalose-6-phosphate synthase / Trehalose | ||||||
Function / homology | Function and homology information alpha,alpha-trehalose-phosphate synthase (ADP-forming) / alpha,alpha-trehalose-phosphate synthase complex (UDP-forming) / trehalose-phosphatase activity / trehalose biosynthetic process / trehalose metabolism in response to stress / hexosyltransferase activity / cellular response to heat / nucleotide binding / cytosol Similarity search - Function | ||||||
Biological species | Mycobacterium thermoresistibile (bacteria) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / molecular replacement / Resolution: 1.971 Å | ||||||
Authors | Mendes, V. / Verma, N. / Blaszczyk, M. / Blundell, T.L. | ||||||
Funding support | United States, 1items
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Citation | Journal: Mbio / Year: 2019 Title: Mycobacterial OtsA Structures Unveil Substrate Preference Mechanism and Allosteric Regulation by 2-Oxoglutarate and 2-Phosphoglycerate. Authors: Mendes, V. / Acebron-Garcia-de-Eulate, M. / Verma, N. / Blaszczyk, M. / Dias, M.V.B. / Blundell, T.L. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 5k41.cif.gz | 209.8 KB | Display | PDBx/mmCIF format |
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PDB format | pdb5k41.ent.gz | 166.3 KB | Display | PDB format |
PDBx/mmJSON format | 5k41.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/k4/5k41 ftp://data.pdbj.org/pub/pdb/validation_reports/k4/5k41 | HTTPS FTP |
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-Related structure data
Related structure data | 5jijSC 5jioC 5k42C 5k44C 5k5cC 5l3kC 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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Unit cell |
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Components on special symmetry positions |
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-Components
#1: Protein | Mass: 54681.047 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Mycobacterium thermoresistibile (bacteria) Gene: RMCT_1906 / Production host: Escherichia coli BL21(DE3) (bacteria) / References: UniProt: A0A117IMA6, UniProt: G7CGT2*PLUS | ||
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#2: Chemical | ChemComp-ADQ / | ||
#3: Chemical | ChemComp-NHE / | ||
#4: Chemical | ChemComp-EDO / #5: Water | ChemComp-HOH / | |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 3.82 Å3/Da / Density % sol: 67.76 % |
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Crystal grow | Temperature: 291 K / Method: vapor diffusion, sitting drop / pH: 10 Details: 0.1M CHES pH 10, 0.7M sodium potassium tartrate, 10% v/v ethylene glycol. |
-Data collection
Diffraction | Mean temperature: 100 K | |||||||||||||||
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Diffraction source | Source: SYNCHROTRON / Site: Diamond / Beamline: I24 / Wavelength: 0.96862 Å | |||||||||||||||
Detector | Type: DECTRIS PILATUS3 6M / Detector: PIXEL / Date: Mar 9, 2014 | |||||||||||||||
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray | |||||||||||||||
Radiation wavelength | Wavelength: 0.96862 Å / Relative weight: 1 | |||||||||||||||
Reflection | Resolution: 1.97→102.81 Å / Num. obs: 59763 / % possible obs: 100 % / Redundancy: 12.6 % / Biso Wilson estimate: 28.19 Å2 / CC1/2: 0.996 / Rmerge(I) obs: 0.163 / Rpim(I) all: 0.048 / Rrim(I) all: 0.17 / Net I/σ(I): 9.5 / Num. measured all: 753000 | |||||||||||||||
Reflection shell |
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-Phasing
Phasing | Method: molecular replacement | |||||||||
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Phasing MR |
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-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: 5JIJ Resolution: 1.971→90.094 Å / SU ML: 0.18 / Cross valid method: THROUGHOUT / σ(F): 1.34 / Phase error: 21.36
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso max: 114.18 Å2 / Biso mean: 45.275 Å2 / Biso min: 22.09 Å2 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: final / Resolution: 1.971→90.094 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: 20
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Refinement TLS params. | Method: refined / Refine-ID: X-RAY DIFFRACTION
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Refinement TLS group |
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