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- PDB-2cj1: chloroperoxidase complexed with formate (ethylene glycol cryoprot... -
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Open data
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Basic information
Entry | Database: PDB / ID: 2cj1 | ||||||||||||
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Title | chloroperoxidase complexed with formate (ethylene glycol cryoprotectant) | ||||||||||||
![]() | CHLOROPEROXIDASE | ||||||||||||
![]() | OXIDOREDUCTASE / HEME / IRON / CHLORIDE / MANGANESE / PEROXIDASE / PYRROLIDONE CARBOXYLIC ACID / GLYCOPROTEIN / METAL-BINDING | ||||||||||||
Function / homology | ![]() | ||||||||||||
Biological species | ![]() | ||||||||||||
Method | ![]() ![]() ![]() | ||||||||||||
![]() | Kuhnel, K. / Blankenfeldt, W. / Terner, J. / Schlichting, I. | ||||||||||||
![]() | ![]() Title: Crystal Structures of Chloroperoxidase with its Bound Substrates and Complexed with Formate, Acetate, and Nitrate. Authors: Kuhnel, K. / Blankenfeldt, W. / Terner, J. / Schlichting, I. | ||||||||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 90.8 KB | Display | ![]() |
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PDB format | ![]() | 66.5 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 1.6 MB | Display | ![]() |
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Full document | ![]() | 1.6 MB | Display | |
Data in XML | ![]() | 18.8 KB | Display | |
Data in CIF | ![]() | 27.9 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 2civC ![]() 2ciwC ![]() 2cixC ![]() 2ciyC ![]() 2cizC ![]() 2cj0C ![]() 2cj2C ![]() 1cpoS S: Starting model for refinement 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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Unit cell |
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Components on special symmetry positions |
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Components
-Protein , 1 types, 1 molecules A
#1: Protein | Mass: 32746.885 Da / Num. of mol.: 1 / Fragment: RESIDUES 21-319 / Source method: isolated from a natural source / Source: (natural) ![]() |
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-Sugars , 4 types, 16 molecules ![](data/chem/img/NAG.gif)
![](data/chem/img/MAN.gif)
![](data/chem/img/MAN.gif)
#2: Polysaccharide | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose Source method: isolated from a genetically manipulated source | ||
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#3: Polysaccharide | alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose / 2alpha-alpha-mannobiose | ||
#6: Sugar | #7: Sugar | ChemComp-MAN / |
-Non-polymers , 5 types, 355 molecules ![](data/chem/img/MN.gif)
![](data/chem/img/HEM.gif)
![](data/chem/img/EDO.gif)
![](data/chem/img/FMT.gif)
![](data/chem/img/HOH.gif)
![](data/chem/img/HEM.gif)
![](data/chem/img/EDO.gif)
![](data/chem/img/FMT.gif)
![](data/chem/img/HOH.gif)
#4: Chemical | ChemComp-MN / | ||||
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#5: Chemical | ChemComp-HEM / | ||||
#8: Chemical | #9: Chemical | ChemComp-FMT / | #10: Water | ChemComp-HOH / | |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.6 Å3/Da / Density % sol: 52 % |
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Crystal grow | pH: 3.6 Details: 100 MM SODIUM FORMATE, 24 % PEG 3000, 0.1 M CITRATE PH 3.6 CRYOPROTECTANT CONTAINED 15 % ETHYLENE GLYCOL |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: MARRESEARCH / Detector: CCD |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.006 Å / Relative weight: 1 |
Reflection | Resolution: 1.7→20 Å / Num. obs: 47188 / % possible obs: 93.9 % / Observed criterion σ(I): 2 / Redundancy: 2.5 % / Rmerge(I) obs: 0.08 / Net I/σ(I): 9 |
Reflection shell | Resolution: 1.7→1.74 Å / Rmerge(I) obs: 0.41 / Mean I/σ(I) obs: 2.9 / % possible all: 87 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: PDB ENTRY 1CPO Resolution: 1.7→19.75 Å / Cor.coef. Fo:Fc: 0.955 / Cor.coef. Fo:Fc free: 0.934 / SU B: 2.04 / SU ML: 0.068 / Cross valid method: THROUGHOUT / ESU R: 0.098 / ESU R Free: 0.102 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
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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: 21.68 Å2
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Refinement step | Cycle: LAST / Resolution: 1.7→19.75 Å
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Refine LS restraints |
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