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Open data
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Basic information
Entry | Database: PDB / ID: 7xuy | ||||||
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Title | Crystal structure of 5-chloro-2-hydroxymuconate tautomerase CnbG | ||||||
![]() | Tautomerase | ||||||
![]() | ISOMERASE / catechol meta-cleavage pathway / beta-alpha-beta block / chloronitrobenzene degradation / hexamer | ||||||
Function / homology | Isomerases; Intramolecular oxidoreductases; Interconverting keto- and enol-groups / 4-oxalocrotonate tautomerase, Pseudomonas-type / 4-oxalocrotonate tautomerase / Tautomerase enzyme / : / Tautomerase/MIF superfamily / isomerase activity / Tautomerase![]() | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Ma, H.L. / Li, D.F. | ||||||
Funding support | ![]()
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![]() | ![]() Title: Structural insights into the substrate specificity of 5-chloro-2-hydroxymuconate tautomerase CnbG. Authors: Ma, H.L. / Ding, M. / Guo, L. / Li, D.F. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 41.5 KB | Display | ![]() |
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PDB format | ![]() | 27.2 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 395 KB | Display | ![]() |
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Full document | ![]() | 394.9 KB | Display | |
Data in XML | ![]() | 4.2 KB | Display | |
Data in CIF | ![]() | 4.9 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 4fazS S: Starting model for refinement |
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Similar structure data | Similarity search - Function & homology ![]() |
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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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Components
#1: Protein | Mass: 8111.257 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() Gene: cnbG / Production host: ![]() ![]() References: UniProt: Q38M36, Isomerases; Intramolecular oxidoreductases; Interconverting keto- and enol-groups |
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#2: Water | ChemComp-HOH / |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.5 Å3/Da / Density % sol: 50.86 % |
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Crystal grow | Temperature: 310.15 K / Method: vapor diffusion, hanging drop / pH: 8.5 / Details: 2M (NH4)2SO4, 0.1 M Tris |
-Data collection
Diffraction | Mean temperature: 95 K / Serial crystal experiment: N |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: ADSC QUANTUM 270 / Detector: CCD / Date: Dec 11, 2007 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1 Å / Relative weight: 1 |
Reflection | Resolution: 2→47.26 Å / Num. obs: 5614 / % possible obs: 99.9 % / Redundancy: 5.4 % / Biso Wilson estimate: 40.5 Å2 / CC1/2: 0.997 / Rmerge(I) obs: 0.049 / Rrim(I) all: 0.055 / Net I/σ(I): 18.5 |
Reflection shell | Resolution: 2→2.05 Å / Rmerge(I) obs: 0.524 / Mean I/σ(I) obs: 3.2 / Num. unique obs: 409 / CC1/2: 0.857 / Rrim(I) all: 0.58 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 4FAZ Resolution: 2.001→30.84 Å / SU ML: 0.16 / Cross valid method: THROUGHOUT / Phase error: 18.14 / 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: 115.69 Å2 / Biso mean: 59.7908 Å2 / Biso min: 34 Å2 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: final / Resolution: 2.001→30.84 Å
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LS refinement shell | Refine-ID: X-RAY DIFFRACTION / Rfactor Rfree error: 0 / % reflection obs: 100 %
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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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