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- PDB-4j1x: Crystal Structure of Fe(II)-HppE with alternative substrate (S)-1-HPP -
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Open data
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Basic information
Entry | Database: PDB / ID: 4j1x | ||||||
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Title | Crystal Structure of Fe(II)-HppE with alternative substrate (S)-1-HPP | ||||||
![]() | Epoxidase | ||||||
![]() | METAL BINDING PROTEIN / keto product / Hydroxypropylphosphonic acid epoxidase / mononuclear non-heme iron enzyme / cupin fold / phosphono migration | ||||||
Function / homology | ![]() (S)-2-hydroxypropylphosphonic acid epoxidase / phosphinothricin biosynthetic process / oxidoreductase activity, acting on paired donors, with oxidation of a pair of donors resulting in the reduction of molecular oxygen to two molecules of water / dioxygenase activity / antibiotic biosynthetic process / ferrous iron binding / protein homotetramerization / DNA binding Similarity search - Function | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Drennan, C.L. / Dey, M. | ||||||
![]() | ![]() Title: Mechanistic studies of an unprecedented enzyme-catalysed 1,2-phosphono-migration reaction. Authors: Chang, W.C. / Dey, M. / Liu, P. / Mansoorabadi, S.O. / Moon, S.J. / Zhao, Z.K. / Drennan, C.L. / Liu, H.W. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 120.8 KB | Display | ![]() |
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PDB format | ![]() | 94.8 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 473.5 KB | Display | ![]() |
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Full document | ![]() | 484.3 KB | Display | |
Data in XML | ![]() | 24.2 KB | Display | |
Data in CIF | ![]() | 31 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 4j1wC ![]() 1zz8S C: citing same article ( 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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2 | ![]()
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Unit cell |
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Components
#1: Protein | Mass: 21229.932 Da / Num. of mol.: 3 Fragment: Metal and substrate binding domains (UNP Residues 2-198) Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() #2: Chemical | #3: Chemical | #4: Chemical | ChemComp-GOL / | #5: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 3.69 Å3/Da / Density % sol: 66.68 % |
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Crystal grow | Temperature: 298 K / Method: vapor diffusion, hanging drop / pH: 8.5 Details: 0.1 M Tris.HCl, pH 8.5, 2.0 M ammonium sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: ADSC QUANTUM 315 / Detector: CCD / Date: Jul 30, 2010 |
Radiation | Monochromator: Double crystal, Si(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1 Å / Relative weight: 1 |
Reflection | Resolution: 2.8→50 Å / Num. obs: 23538 / % possible obs: 99.3 % / Observed criterion σ(F): 0 / Observed criterion σ(I): -3 |
Reflection shell | Resolution: 2.8→2.85 Å / Redundancy: 8.7 % / Mean I/σ(I) obs: 2.7 / Rsym value: 0.741 / % possible all: 99.3 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: PDB ENTRY 1ZZ8 Resolution: 2.8→50 Å / σ(F): 0 / Stereochemistry target values: Engh & Huber
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Refinement step | Cycle: LAST / Resolution: 2.8→50 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2.8→2.85 Å |