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- PDB-1fwe: KLEBSIELLA AEROGENES UREASE, C319A VARIANT WITH ACETOHYDROXAMIC A... -
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Open data
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Basic information
Entry | Database: PDB / ID: 1fwe | ||||||
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Title | KLEBSIELLA AEROGENES UREASE, C319A VARIANT WITH ACETOHYDROXAMIC ACID (AHA) BOUND | ||||||
![]() | (UREASE) x 3 | ||||||
![]() | HYDROLASE / HYDROLASE(UREA AMIDO) / MUTANT / INHIBITOR-BOUND / NICKEL METALLOENZYME | ||||||
Function / homology | ![]() urease complex / urease / urease activity / urea catabolic process / nickel cation binding / cytoplasm Similarity search - Function | ||||||
Biological species | ![]() | ||||||
Method | ![]() | ||||||
![]() | Pearson, M.A. / Karplus, P.A. | ||||||
![]() | ![]() Title: Structures of Cys319 variants and acetohydroxamate-inhibited Klebsiella aerogenes urease. Authors: Pearson, M.A. / Michel, L.O. / Hausinger, R.P. / Karplus, P.A. #1: ![]() Title: Structures of the Klebsiella Aerogenes Urease Apoenzyme and Two Active-Site Mutants Authors: Jabri, E. / Karplus, P.A. #2: ![]() Title: The Crystal Structure of Urease from Klebsiella Aerogenes Authors: Jabri, E. / Carr, M.B. / Hausinger, R.P. / Karplus, P.A. #3: ![]() Title: Site-Directed Mutagenesis of the Active Site Cysteine in Klebsiella Aerogenes Urease Authors: Martin, P.R. / Hausinger, R.P. #4: ![]() Title: Identification of the Essential Cysteine Residue in Klebsiella Aerogenes Urease Authors: Todd, M.J. / Hausinger, R.P. #5: ![]() Title: Competitive Inhibitors of Klebsiella Aerogenes Urease. Mechanisms of Interaction with the Nickel Active Site Authors: Todd, M.J. / Hausinger, R.P. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 156.1 KB | Display | ![]() |
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PDB format | ![]() | 127.5 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 445 KB | Display | ![]() |
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Full document | ![]() | 451 KB | Display | |
Data in XML | ![]() | 29.4 KB | Display | |
Data in CIF | ![]() | 43.2 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 1fwaC ![]() 1fwbC ![]() 1fwcC ![]() 1fwdC ![]() 1fwfC ![]() 1fwgC ![]() 1fwhC ![]() 1fwjC C: citing same article ( |
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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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Unit cell |
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Components
-Protein , 3 types, 3 molecules ABC
#1: Protein | Mass: 11100.928 Da / Num. of mol.: 1 / Mutation: C(C 319)A Source method: isolated from a genetically manipulated source Details: INHIBITOR BOUND / Source: (gene. exp.) ![]() ![]() ![]() |
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#2: Protein | Mass: 11712.239 Da / Num. of mol.: 1 / Mutation: C(C 319)A Source method: isolated from a genetically manipulated source Details: INHIBITOR BOUND / Source: (gene. exp.) ![]() ![]() ![]() |
#3: Protein | Mass: 60377.289 Da / Num. of mol.: 1 / Mutation: C(C 319)A Source method: isolated from a genetically manipulated source Details: INHIBITOR BOUND / Source: (gene. exp.) ![]() ![]() ![]() |
-Non-polymers , 3 types, 280 molecules ![](data/chem/img/NI.gif)
![](data/chem/img/HAE.gif)
![](data/chem/img/HOH.gif)
![](data/chem/img/HAE.gif)
![](data/chem/img/HOH.gif)
#4: Chemical | #5: Chemical | ChemComp-HAE / | #6: Water | ChemComp-HOH / | |
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-Details
Compound details | THIS MODEL IS THAT OF THE C319A MUTANT WITH THE COMPETITIVE INHIBITOR ACETOHYDROXAMIC ACID (AHA) ...THIS MODEL IS THAT OF THE C319A MUTANT WITH THE COMPETITIV |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.5 Å3/Da / Density % sol: 49 % | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
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Crystal grow | *PLUS Temperature: 25 ℃ / pH: 7 / Method: vapor diffusion, hanging drop / Details: Jabri, E., (1992) J.Mol.Biol., 227, 934. | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction source | Wavelength: 1.5418 |
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Detector | Type: XUONG-HAMLIN MULTIWIRE / Detector: AREA DETECTOR |
Radiation | Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.5418 Å / Relative weight: 1 |
Reflection | Num. obs: 52075 / % possible obs: 96 % / Observed criterion σ(I): 0 / Redundancy: 2.3 % / Rmerge(I) obs: 0.097 |
Reflection shell | *PLUS Highest resolution: 2 Å / Lowest resolution: 2.07 Å / % possible obs: 67 % / Redundancy: 1.5 % / Rmerge(I) obs: 0.395 |
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Processing
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Refinement | Resolution: 2→10 Å / σ(F): 0
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Refinement step | Cycle: LAST / Resolution: 2→10 Å
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Refine LS restraints |
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