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- PDB-5uqu: Crystal structure of mutant 2-methylcitrate synthase (mcsAG352A) ... -
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Open data
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Basic information
Entry | Database: PDB / ID: 5uqu | ||||||
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Title | Crystal structure of mutant 2-methylcitrate synthase (mcsAG352A) from Aspergillus fumigatus | ||||||
![]() | 2-methylcitrate synthase, mitochondrial | ||||||
![]() | TRANSFERASE / aspergillus fumigatus / mcsA / 2-methylcitrate synthase / citrate synthase | ||||||
Function / homology | ![]() 2-methylcitrate synthase / 2-methylcitrate synthase activity / citrate synthase (unknown stereospecificity) / propionate catabolic process / citrate (Si)-synthase activity / tricarboxylic acid cycle / carbohydrate metabolic process / mitochondrial matrix Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Schlachter, C. / Chruszcz, M. | ||||||
![]() | ![]() Title: Comparative studies of Aspergillus fumigatus 2-methylcitrate synthase and human citrate synthase. Authors: Schlachter, C.R. / Klapper, V. / Radford, T. / Chruszcz, M. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 362.8 KB | Display | ![]() |
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PDB format | ![]() | 294.5 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 811.7 KB | Display | ![]() |
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Full document | ![]() | 814.6 KB | Display | |
Data in XML | ![]() | 39.2 KB | Display | |
Data in CIF | ![]() | 59.5 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 5uqoC ![]() 5uqqC ![]() 5uqrC ![]() 5uqsC ![]() 5uzpC ![]() 5uzqC ![]() 5uzrC ![]() 6bolC ![]() 6bomC ![]() 6bonC ![]() 6booC ![]() 6bopC 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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1 |
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Unit cell |
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Noncrystallographic symmetry (NCS) | NCS domain:
NCS domain segments: Component-ID: _ / Ens-ID: 1 / Beg auth comp-ID: THR / Beg label comp-ID: THR / End auth comp-ID: LYS / End label comp-ID: LYS / Refine code: _ / Auth seq-ID: 30 - 464 / Label seq-ID: 6 - 440
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Components
#1: Protein | Mass: 48571.453 Da / Num. of mol.: 2 / Mutation: G352A Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() References: UniProt: Q50I20, 2-methylcitrate synthase, citrate synthase (unknown stereospecificity) #2: Chemical | #3: Chemical | ChemComp-OAA / | #4: Chemical | ChemComp-COA / | #5: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.12 Å3/Da / Density % sol: 41.91 % |
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Crystal grow | Temperature: 298 K / Method: vapor diffusion, sitting drop Details: 0.2 M Ammonium Sulfate, 0.1M Tris pH 8.5, 25% PEG3350 |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: RAYONIX MX300-HS / Detector: CCD / Date: Jun 23, 2016 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1 Å / Relative weight: 1 |
Reflection | Resolution: 1.7→50.01 Å / Num. obs: 81628 / % possible obs: 94.13 % / Observed criterion σ(I): -3 / Redundancy: 7.8 % / Rmerge(I) obs: 0.062 / Rpim(I) all: 0.029 / Rrim(I) all: 0.081 / Rsym value: 0.062 / Net I/σ(I): 35.19 |
Reflection shell | Resolution: 1.7→1.73 Å / Redundancy: 7.9 % / Rmerge(I) obs: 0.799 / Mean I/σ(I) obs: 3.28 / Num. unique obs: 4534 / CC1/2: 0.857 / Rpim(I) all: 0.278 / Rrim(I) all: 0.785 / Rsym value: 0.799 / % possible all: 100 |
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Processing
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Refinement | Method to determine structure: ![]()
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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: 27.724 Å2
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Refinement step | Cycle: 1 / Resolution: 1.7→33.1 Å
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Refine LS restraints |
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