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- PDB-1v1j: Crystal structure of type II Dehydroquintae Dehydratase from Stre... -
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Open data
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Basic information
Entry | Database: PDB / ID: 1v1j | ||||||
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Title | Crystal structure of type II Dehydroquintae Dehydratase from Streptomyces coelicolor in complex with 3-fluoro | ||||||
![]() | 3-DEHYDROQUINATE DEHYDRATASE | ||||||
![]() | LYASE / DHQ / SHIKIMATE / DEHYDROQUINASE / AROMATIC AMINO ACID BIOSYNTHESIS | ||||||
Function / homology | ![]() quinate catabolic process / 3-dehydroquinate dehydratase / 3-dehydroquinate dehydratase activity / chorismate biosynthetic process / aromatic amino acid family biosynthetic process / amino acid biosynthetic process Similarity search - Function | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() | ||||||
![]() | Roszak, A.W. / Coggins, J.R. / Lapthorn, A.J. | ||||||
![]() | ![]() Title: (1R,4S,5R)-3-Fluoro-1,4,5-Trihydroxy-2-Cyclohexene-1-Carboxylic Acid: The Fluoro Analogue of the Enolate Intermediate in the Reaction Catalyzed by Type II Dehydroquinases Authors: Frederickson, M. / Roszak, A.W. / Coggins, J.R. / Lapthorn, A.J. / Abell, C. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 354.4 KB | Display | ![]() |
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PDB format | ![]() | 293.2 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Related structure data | ![]() 1guoS S: Starting model for refinement |
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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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Noncrystallographic symmetry (NCS) | NCS oper:
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Components
#1: Protein | Mass: 16700.801 Da / Num. of mol.: 12 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() #2: Chemical | ChemComp-FA3 / #3: Chemical | ChemComp-TRS / #4: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 3 Å3/Da / Density % sol: 58.5 % |
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Crystal grow | pH: 7.5 / Details: PEG 8000, NA/K PHOSPHATE, TRIS BUFFER, pH 7.50 |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() |
Detector | Type: MACSCIENCE / Detector: IMAGE PLATE / Date: Oct 15, 2000 / Details: MIRRORS |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.5418 Å / Relative weight: 1 |
Reflection | Resolution: 2.2→50 Å / Num. obs: 113346 / % possible obs: 96.6 % / Redundancy: 3.2 % / Biso Wilson estimate: 25.11 Å2 / Rmerge(I) obs: 0.16 / Net I/σ(I): 6.97 |
Reflection shell | Resolution: 2.2→2.24 Å / Redundancy: 2.5 % / Rmerge(I) obs: 0.77 / Mean I/σ(I) obs: 1.85 / % possible all: 99.5 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: PDB ENTRY 1GUO Resolution: 2.2→20 Å / SU B: 9.91074 / SU ML: 0.24061 / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R: 0.34862 / ESU R Free: 0.22984
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Displacement parameters | Biso mean: 25.126 Å2
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Refinement step | Cycle: LAST / Resolution: 2.2→20 Å
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