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Open data
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Basic information
Entry | Database: PDB / ID: 2j5i | ||||||
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Title | Crystal Structure of Hydroxycinnamoyl-CoA Hydratase-Lyase | ||||||
![]() | (P-HYDROXYCINNAMOYL COA HYDRATASE/LYASE) x 3 | ||||||
![]() | LYASE / VANILLIN / ALDOLASE / CROTONASE / HYDRATASE / COENZYME-A | ||||||
Function / homology | ![]() feruloyl-CoA hydratase/lyase / feruloyl-CoA hydratase/lyase activity / : / isoprenoid catabolic process Similarity search - Function | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Leonard, P.M. / Brzozowski, A.M. / Lebedev, A. / Marshall, C.M. / Smith, D.J. / Verma, C.S. / Walton, N.J. / Grogan, G. | ||||||
![]() | ![]() Title: The 1.8 A Resolution Structure of Hydroxycinnamoyl- Coenzyme a Hydratase-Lyase (Hchl) from Pseudomonas Fluorescens, an Enzyme that Catalyses the Transformation of Feruloyl-Coenzyme a to Vanillin. Authors: Leonard, P.M. / Brzozowski, A.M. / Lebedev, A. / Marshall, C.M. / Smith, D.J. / Verma, C.S. / Walton, N.J. / Grogan, G. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 611.9 KB | Display | ![]() |
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PDB format | ![]() | 503.5 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Related structure data | ![]() 1uiyS 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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1 | ![]()
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2 | ![]()
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Unit cell |
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Noncrystallographic symmetry (NCS) | NCS domain:
NCS domain segments:
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Components
#1: Protein | Mass: 31012.637 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() | ||||
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#2: Protein | Mass: 31044.613 Da / Num. of mol.: 10 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() #3: Protein | | Mass: 31043.629 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() #4: Water | ChemComp-HOH / | |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.42 Å3/Da / Density % sol: 49.5 % |
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Crystal grow | pH: 5.6 Details: PEG 20000 11% W/V PEG 550 MME 8% V/V 0.8M NA FORMATE BUTANE-1,4-DIOL 0,2% V/V 0.05M MES PH 5.6 |
-Data collection
Diffraction | Mean temperature: 287 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: ADSC CCD / Detector: CCD / Date: Jan 30, 2004 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.934 Å / Relative weight: 1 |
Reflection | Resolution: 1.8→30 Å / Num. obs: 308927 / % possible obs: 100 % / Observed criterion σ(I): 0 / Redundancy: 4.2 % / Rmerge(I) obs: 0.04 / Net I/σ(I): 21.9 |
Reflection shell | Resolution: 1.8→1.85 Å / Redundancy: 4.2 % / Rmerge(I) obs: 0.33 / Mean I/σ(I) obs: 3.3 / % possible all: 100 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: PDB ENTRY 1UIY Resolution: 1.8→111.8 Å / Cor.coef. Fo:Fc: 0.965 / Cor.coef. Fo:Fc free: 0.949 / Cross valid method: THROUGHOUT / ESU R: 0.117 / ESU R Free: 0.115 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS.
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Solvent computation | Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 21.75 Å2
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Refinement step | Cycle: LAST / Resolution: 1.8→111.8 Å
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Refine LS restraints |
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