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- PDB-6oci: Crystal Structure of Equine Serum Albumin in Complex with Ibuprofen -
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Open data
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Basic information
Entry | Database: PDB / ID: 6oci | ||||||
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Title | Crystal Structure of Equine Serum Albumin in Complex with Ibuprofen | ||||||
![]() | Serum albumin![]() | ||||||
![]() | ![]() ![]() | ||||||
Function / homology | ![]() cellular response to calcium ion starvation / ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() Similarity search - Function | ||||||
Biological species | ![]() ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Sekula, B. / Zielinski, K. / Bujacz, A. / Bujacz, G. | ||||||
![]() | ![]() Title: Structural investigations of stereoselective profen binding by equine and leporine serum albumins. Authors: Zielinski, K. / Sekula, B. / Bujacz, A. / Szymczak, 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 | ![]() | 241 KB | Display | ![]() |
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PDB format | ![]() | 195.5 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Related structure data | ![]() 6ocjC ![]() 6ockC ![]() 6oclC ![]() 4zbqS 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
#1: Protein | ![]() Mass: 65625.867 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) ![]() ![]() ![]() | ||||||
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#2: Chemical | ![]() #3: Chemical | ![]() #4: Chemical | ![]() #5: Water | ChemComp-HOH / | ![]() |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.73 Å3/Da / Density % sol: 54.98 % |
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Crystal grow![]() | Temperature: 293 K / Method: vapor diffusion / pH: 6 / Details: 75% Tacsimate at pH 6.0 |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: MARMOSAIC 225 mm CCD / Detector: CCD / Date: Aug 25, 2011 / Details: Mirrors |
Radiation | Monochromator: Si(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength![]() |
Reflection | Resolution: 2.54→50 Å / Num. obs: 23211 / % possible obs: 100 % / Observed criterion σ(I): -3 / Redundancy: 6 % / Rmerge(I) obs: 0.117 / Net I/σ(I): 14.4 |
Reflection shell | Resolution: 2.54→2.64 Å / Redundancy: 6 % / Rmerge(I) obs: 1.181 / Mean I/σ(I) obs: 2.1 / Num. unique obs: 2521 / % possible all: 100 |
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Processing
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Refinement | Method to determine structure![]() ![]() Starting model: 4ZBQ Resolution: 2.54→50 Å / Cor.coef. Fo:Fc: 0.968 / Cor.coef. Fo:Fc free: 0.935 / SU B: 26.569 / SU ML: 0.263 / Cross valid method: THROUGHOUT / ESU R: 0.54 / ESU R Free: 0.294 / Details: 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 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 57.185 Å2
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Refinement step | Cycle: 1 / Resolution: 2.54→50 Å
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Refine LS restraints |
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