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- PDB-1uqr: Type II 3-dehydroquinate dehydratase (DHQase) from Actinobacillus... -
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Open data
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Basic information
Entry | Database: PDB / ID: 1uqr | ||||||
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Title | Type II 3-dehydroquinate dehydratase (DHQase) from Actinobacillus pleuropneumoniae | ||||||
![]() | 3-DEHYDROQUINATE DEHYDRATASE | ||||||
![]() | LYASE / SHIKIMATE PATHWAY / AROMATIC AMINO ACID BIOSYNTHESIS | ||||||
Function / homology | ![]() 3-dehydroquinate dehydratase / 3-dehydroquinate dehydratase activity / chorismate biosynthetic process / aromatic amino acid family biosynthetic process Similarity search - Function | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Maes, D. / Gonzalez-Ramirez, L.A. / Lopez-Jaramillo, J. / Yu, B. / De Bondt, H. / Zegers, I. / Afonina, E. / Garcia-Ruiz, J.M. / Gulnik, S. | ||||||
![]() | ![]() Title: Structural Study of the Type II 3-Dehydroquinate Dehydratase from Actinobacillus Pleuropneumoniae Authors: Maes, D. / Gonzalez-Ramirez, L.A. / Lopez-Jaramillo, J. / Yu, B. / De Bondt, H. / Zegers, I. / Afonina, E. / Garcia-Ruiz, J.M. / Gulnik, S. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 395.5 KB | Display | ![]() |
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PDB format | ![]() | 326.4 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
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: 17197.488 Da / Num. of mol.: 12 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() Production host: ![]() ![]() #2: Chemical | ChemComp-SO4 / #3: Chemical | ChemComp-TRS / #4: Water | ChemComp-HOH / | Compound details | CATALYZES A TRANS-DEHYDRATION VIA AN ENOLATE INTERMEDIATE. BELONGS TO THE TYPE-II 3-DEHYDROQUINASE ...CATALYZES A TRANS-DEHYDRATIO | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 3.32 Å3/Da / Density % sol: 62.95 % | ||||||||||||||||||||||||||||||||||||
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Crystal grow | pH: 7.4 / Details: pH 7.40 | ||||||||||||||||||||||||||||||||||||
Crystal grow | *PLUS pH: 7.4 / Method: gel-acupuncture method | ||||||||||||||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.8463 Å / Relative weight: 1 |
Reflection | Resolution: 1.71→20 Å / Num. obs: 288020 / % possible obs: 98.2 % / Redundancy: 5.1 % / Rmerge(I) obs: 0.035 / Net I/σ(I): 28 |
Reflection shell | Resolution: 1.71→1.8 Å / Rmerge(I) obs: 0.22 / Mean I/σ(I) obs: 7.3 / % possible all: 96 |
Reflection | *PLUS Highest resolution: 1.71 Å / Lowest resolution: 20 Å / Num. obs: 210933 / % possible obs: 71.5 % / Redundancy: 1.64 % / Rmerge(I) obs: 0.033 |
Reflection shell | *PLUS % possible obs: 66.2 % / Num. unique obs: 27619 / Rmerge(I) obs: 0.309 / Mean I/σ(I) obs: 2.9 |
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Processing
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Refinement | Method to determine structure: ![]() Details: THE SIDE CHAIN OF CYS 125 HAS THREE ALTERNATE CONFORMATIONS IN EVERY CHAIN.
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Displacement parameters | Biso mean: 23.7 Å2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.7→20 Å
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Refine LS restraints |
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Refinement | *PLUS Highest resolution: 1.71 Å / Lowest resolution: 20 Å | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Solvent computation | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refine LS restraints | *PLUS
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