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- PDB-1zmo: Apo structure of haloalcohol dehalogenase HheA of Arthrobacter sp. AD2 -
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Open data
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Basic information
Entry | Database: PDB / ID: 1zmo | ||||||
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Title | Apo structure of haloalcohol dehalogenase HheA of Arthrobacter sp. AD2 | ||||||
![]() | halohydrin dehalogenase | ||||||
![]() | LYASE / halohydrin dehalogenase / haloalcohol dehalogenase / short-chain dehydrogenase/reductase family | ||||||
Function / homology | Enoyl-(Acyl carrier protein) reductase / Short-chain dehydrogenase/reductase SDR / NAD(P)-binding Rossmann-like Domain / NAD(P)-binding domain superfamily / Rossmann fold / 3-Layer(aba) Sandwich / Alpha Beta / Halohydrin dehalogenase![]() | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | de Jong, R.M. / Kalk, K.H. / Tang, L. / Janssen, D.B. / Dijkstra, B.W. | ||||||
![]() | ![]() Title: The X-ray structure of the haloalcohol dehalogenase HheA from Arthrobacter sp. strain AD2: insight into enantioselectivity and halide binding in the haloalcohol dehalogenase family. Authors: de Jong, R.M. / Kalk, K.H. / Tang, L. / Janssen, D.B. / Dijkstra, B.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 | ![]() | 374.4 KB | Display | ![]() |
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PDB format | ![]() | 305.9 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 488.4 KB | Display | ![]() |
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Full document | ![]() | 527.2 KB | Display | |
Data in XML | ![]() | 77.2 KB | Display | |
Data in CIF | ![]() | 109 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 1pwxS 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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Details | There are two biologically active tetramers in the asymmetric unit. |
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Components
#1: Protein | Mass: 26451.004 Da / Num. of mol.: 8 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() #2: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.52 Å3/Da / Density % sol: 50.8 % |
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Crystal grow | Temperature: 298 K / Method: vapor diffusion, hanging drop / pH: 6.5 Details: 22% w/v PEG 8000, 100 mM MES buffer, 100 mM Magnesium Acetate, 50 mM Sodium Formate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: ADSC QUANTUM 4 / Detector: CCD / Date: Apr 9, 2003 |
Radiation | Monochromator: Si / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.93 Å / Relative weight: 1 |
Reflection | Resolution: 2→25 Å / Num. obs: 120343 / % possible obs: 89.4 % / Observed criterion σ(F): 2 / Observed criterion σ(I): 2 / Biso Wilson estimate: 10.2 Å2 |
Reflection shell | Resolution: 2→2.09 Å / % possible all: 89.4 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: PDB entry 1PWX Resolution: 2→20.05 Å / Rfactor Rfree error: 0.004 / Data cutoff high absF: 1374501.74 / Data cutoff high rms absF: 1374501.74 / Data cutoff low absF: 0 / Isotropic thermal model: RESTRAINED / Cross valid method: THROUGHOUT / σ(F): 0 / Stereochemistry target values: Engh & Huber
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Solvent computation | Solvent model: FLAT MODEL / Bsol: 64.2387 Å2 / ksol: 0.416166 e/Å3 | ||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 20.1 Å2
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Refine analyze |
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Refinement step | Cycle: LAST / Resolution: 2→20.05 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2→2.13 Å / Rfactor Rfree error: 0.011 / Total num. of bins used: 6
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Xplor file |
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