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Open data
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Basic information
Entry | Database: PDB / ID: 4aal | ||||||
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Title | MacA wild-type oxidized | ||||||
![]() | CYTOCHROME C551 PEROXIDASE | ||||||
![]() | OXIDOREDUCTASE / MULTIHEME CYTOCHROMES / CONFORMATIONAL REARRANGEMENT | ||||||
Function / homology | ![]() cytochrome-c peroxidase activity / periplasmic space / electron transfer activity / heme binding / metal ion binding Similarity search - Function | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Seidel, J. | ||||||
![]() | ![]() Title: Maca is a Second Cytochrome C Peroxidase of Geobacter Sulfurreducens. Authors: Seidel, J. / Hoffmann, M. / Ellis, K.E. / Seidel, A. / Spatzal, T. / Gerhardt, S. / Elliott, S.J. / Einsle, 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 | ![]() | 283.3 KB | Display | ![]() |
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PDB format | ![]() | 229.2 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Related structure data | ![]() 4aamC ![]() 4aanC ![]() 4aaoC ![]() 3hq6S 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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Unit cell |
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Components
-Protein , 1 types, 2 molecules AB
#1: Protein | Mass: 36814.848 Da / Num. of mol.: 2 / Fragment: RESIDUES 23-346 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() |
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-Non-polymers , 6 types, 665 molecules ![](data/chem/img/HEC.gif)
![](data/chem/img/CA.gif)
![](data/chem/img/PO4.gif)
![](data/chem/img/ACT.gif)
![](data/chem/img/EOH.gif)
![](data/chem/img/HOH.gif)
![](data/chem/img/CA.gif)
![](data/chem/img/PO4.gif)
![](data/chem/img/ACT.gif)
![](data/chem/img/EOH.gif)
![](data/chem/img/HOH.gif)
#2: Chemical | ChemComp-HEC / #3: Chemical | #4: Chemical | ChemComp-PO4 / #5: Chemical | ChemComp-ACT / #6: Chemical | ChemComp-EOH / | #7: Water | ChemComp-HOH / | |
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-Details
Sequence details | N-TERMINAL STREP-TAGII |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 3.47 Å3/Da / Density % sol: 64.6 % / Description: NONE |
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Crystal grow | pH: 5.5 Details: 1.3 M SODIUM POTASSIUM PHOSPHATE, 0.1 M AMMONIUM ACETATE PH 5.5, 6% ETHANOL |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: MARRESEARCH SX-165 / Detector: CCD / Date: Nov 8, 2006 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.801 Å / Relative weight: 1 |
Reflection | Resolution: 2→50 Å / Num. obs: 73166 / % possible obs: 96.4 % / Observed criterion σ(I): 0 / Redundancy: 13.5 % / Rmerge(I) obs: 0.09 / Net I/σ(I): 7.9 |
Reflection shell | Resolution: 2→2.1 Å / Redundancy: 8.4 % / Rmerge(I) obs: 0.28 / Mean I/σ(I) obs: 3 / % possible all: 97.7 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: PDB ENTRY 3HQ6 Resolution: 1.84→102.06 Å / Cor.coef. Fo:Fc: 0.966 / Cor.coef. Fo:Fc free: 0.946 / SU B: 5.974 / SU ML: 0.092 / Cross valid method: THROUGHOUT / ESU R: 0.113 / ESU R Free: 0.12 / Stereochemistry target values: MAXIMUM LIKELIHOOD Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. HYDROGENS HAVE BEEN USED IF PRESENT IN THE INPUT
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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: 36.422 Å2
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Refinement step | Cycle: LAST / Resolution: 1.84→102.06 Å
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Refine LS restraints |
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