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- PDB-1ffu: CARBON MONOXIDE DEHYDROGENASE FROM HYDROGENOPHAGA PSEUDOFLAVA WHI... -
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Open data
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Basic information
Entry | Database: PDB / ID: 1ffu | ||||||
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Title | CARBON MONOXIDE DEHYDROGENASE FROM HYDROGENOPHAGA PSEUDOFLAVA WHICH LACKS THE MO-PYRANOPTERIN MOIETY OF THE MOLYBDENUM COFACTOR | ||||||
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![]() | HYDROLASE / DEHYDROGENASE | ||||||
Function / homology | ![]() aerobic carbon monoxide dehydrogenase / carbon-monoxide oxygenase activity / : / molybdenum ion binding / FAD binding / 2 iron, 2 sulfur cluster binding / iron ion binding / copper ion binding / metal ion binding Similarity search - Function | ||||||
Biological species | ![]() | ||||||
Method | ![]() | ||||||
![]() | Haenzelmann, P. / Dobbek, H. / Gremer, L. / Huber, R. / Meyer, O. | ||||||
![]() | ![]() Title: The effect of intracellular molybdenum in Hydrogenophaga pseudoflava on the crystallographic structure of the seleno-molybdo-iron-sulfur flavoenzyme carbon monoxide dehydrogenase. Authors: Hanzelmann, P. / Dobbek, H. / Gremer, L. / Huber, R. / Meyer, O. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 509.2 KB | Display | ![]() |
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PDB format | ![]() | 410.1 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 671.2 KB | Display | ![]() |
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Full document | ![]() | 716.4 KB | Display | |
Data in XML | ![]() | 53.3 KB | Display | |
Data in CIF | ![]() | 88 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
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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
-Protein , 3 types, 6 molecules ADBECF
#1: Protein | Mass: 17747.441 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) ![]() #2: Protein | Mass: 87345.383 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) ![]() #3: Protein | Mass: 30438.051 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) ![]() |
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-Non-polymers , 4 types, 1622 molecules ![](data/chem/img/FES.gif)
![](data/chem/img/CDP.gif)
![](data/chem/img/FAD.gif)
![](data/chem/img/HOH.gif)
![](data/chem/img/CDP.gif)
![](data/chem/img/FAD.gif)
![](data/chem/img/HOH.gif)
#4: Chemical | ChemComp-FES / #5: Chemical | #6: Chemical | #7: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 3.4 Å3/Da / Density % sol: 63.86 % | |||||||||||||||||||||||||||||||||||
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Crystal grow | Temperature: 277 K / Method: vapor diffusion, hanging drop / pH: 7.2 Details: potassium sodium tartrate, dihydrogen ammonium phosphate, methylpentanediol, dithioerythritol, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 277K | |||||||||||||||||||||||||||||||||||
Crystal grow | *PLUS Temperature: 4 ℃ | |||||||||||||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 108 K |
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Diffraction source | Source: ![]() |
Detector | Type: MARRESEARCH / Detector: IMAGE PLATE |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.5418 Å / Relative weight: 1 |
Reflection | Resolution: 2.35→20 Å / Num. all: 570740 / Num. obs: 545063 / % possible obs: 91.1 % / Observed criterion σ(I): 2 / Redundancy: 4.1 % / Rmerge(I) obs: 0.136 / Net I/σ(I): 4.7 |
Reflection shell | Resolution: 2.35→2.43 Å / Redundancy: 1.8 % / Rmerge(I) obs: 0.366 / Num. unique all: 140414 / % possible all: 76.6 |
Reflection | *PLUS Num. obs: 138188 / Num. measured all: 570740 |
Reflection shell | *PLUS % possible obs: 76.6 % |
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Processing
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Refinement | Resolution: 2.35→20 Å / σ(F): 2
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Refinement step | Cycle: LAST / Resolution: 2.35→20 Å
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Refine LS restraints |
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Software | *PLUS Name: CNS / Classification: refinement | ||||||||||||||||||||
Refinement | *PLUS Lowest resolution: 20 Å / σ(F): 2 / % reflection Rfree: 3 % / Rfactor obs: 0.208 | ||||||||||||||||||||
Solvent computation | *PLUS | ||||||||||||||||||||
Displacement parameters | *PLUS | ||||||||||||||||||||
LS refinement shell | *PLUS Highest resolution: 2.35 Å / Lowest resolution: 2.43 Å / Rfactor Rfree: 0.322 / Rfactor obs: 0.33 |