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- PDB-7aae: Crystal structure of Human serum albumin in complex with myristic... -
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Open data
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Basic information
Entry | Database: PDB / ID: 7aae | ||||||
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Title | Crystal structure of Human serum albumin in complex with myristic acid at 2.27 Angstrom Resolution | ||||||
![]() | Albumin | ||||||
![]() | PROTEIN TRANSPORT / Serum protein / Lipid binding protein / Drug carrier | ||||||
Function / homology | ![]() cellular response to calcium ion starvation / exogenous protein binding / Ciprofloxacin ADME / enterobactin binding / Heme biosynthesis / HDL remodeling / negative regulation of mitochondrial depolarization / Prednisone ADME / Heme degradation / Aspirin ADME ...cellular response to calcium ion starvation / exogenous protein binding / Ciprofloxacin ADME / enterobactin binding / Heme biosynthesis / HDL remodeling / negative regulation of mitochondrial depolarization / Prednisone ADME / Heme degradation / Aspirin ADME / antioxidant activity / toxic substance binding / small molecule binding / Scavenging of heme from plasma / Recycling of bile acids and salts / cellular response to starvation / platelet alpha granule lumen / fatty acid binding / Post-translational protein phosphorylation / Cytoprotection by HMOX1 / Regulation of Insulin-like Growth Factor (IGF) transport and uptake by Insulin-like Growth Factor Binding Proteins (IGFBPs) / pyridoxal phosphate binding / Platelet degranulation / protein-folding chaperone binding / blood microparticle / copper ion binding / endoplasmic reticulum lumen / Golgi apparatus / endoplasmic reticulum / protein-containing complex / DNA binding / extracellular space / extracellular exosome / extracellular region / identical protein binding / nucleus / cytoplasm Similarity search - Function | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Maso, L. / Liberi, S. / Trande, M. / Angelini, A. / Cendron, L. | ||||||
![]() | ![]() Title: Unveiling the binding mode of perfluorooctanoic acid to human serum albumin. Authors: Maso, L. / Trande, M. / Liberi, S. / Moro, G. / Daems, E. / Linciano, S. / Sobott, F. / Covaceuszach, S. / Cassetta, A. / Fasolato, S. / Moretto, L.M. / De Wael, K. / Cendron, L. / Angelini, A. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 133 KB | Display | ![]() |
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PDB format | ![]() | Display | ![]() | |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 1.2 MB | Display | ![]() |
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Full document | ![]() | 1.2 MB | Display | |
Data in XML | ![]() | 22.6 KB | Display | |
Data in CIF | ![]() | 30.9 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 7aaiC ![]() 1bj5S 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
-Protein , 1 types, 1 molecules AAA
#1: Protein | Mass: 66456.133 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() Gene: ALB, GIG20, GIG42, PRO0903, PRO1708, PRO2044, PRO2619, PRO2675, UNQ696/PRO1341 Production host: ![]() |
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-Non-polymers , 5 types, 36 molecules ![](data/chem/img/MYR.gif)
![](data/chem/img/MPD.gif)
![](data/chem/img/FMT.gif)
![](data/chem/img/PO4.gif)
![](data/chem/img/HOH.gif)
![](data/chem/img/MPD.gif)
![](data/chem/img/FMT.gif)
![](data/chem/img/PO4.gif)
![](data/chem/img/HOH.gif)
#2: Chemical | ChemComp-MYR / #3: Chemical | ChemComp-MPD / ( #4: Chemical | ChemComp-FMT / | #5: Chemical | ChemComp-PO4 / | #6: Water | ChemComp-HOH / | |
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-Details
Has ligand of interest | Y |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.47 Å3/Da / Density % sol: 50.12 % |
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Crystal grow | Temperature: 293 K / Method: vapor diffusion, sitting drop / pH: 7.5 Details: 50 mM HEPES, 50 mM MOPS, 30 mM sodium fluoride, 30 mM sodium bromide, 30 mM sodium iodide, 12.5% v/v MPD, 12.5% w/v PEG 1000, 12.5% w/v PEG 3350 |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: DECTRIS EIGER X 16M / Detector: PIXEL / Date: Oct 8, 2019 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.97949 Å / Relative weight: 1 |
Reflection | Resolution: 2.27→29.23 Å / Num. obs: 30458 / % possible obs: 99.5 % / Redundancy: 5.5 % / CC1/2: 0.999 / Rmerge(I) obs: 0.06 / Net I/σ(I): 15.28 |
Reflection shell | Resolution: 2.27→2.35 Å / Mean I/σ(I) obs: 2.1 / Num. unique obs: 2962 / CC1/2: 0.866 / Rsym value: 0.583 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 1bj5 Resolution: 2.27→29.228 Å / Cor.coef. Fo:Fc: 0.953 / Cor.coef. Fo:Fc free: 0.926 / WRfactor Rfree: 0.304 / WRfactor Rwork: 0.228 / Average fsc free: 0.8371 / Average fsc work: 0.8688 / Cross valid method: FREE R-VALUE / ESU R: 0.361 / ESU R Free: 0.273 Details: Hydrogens have been added in their 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 BULK SOLVENT | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 61.474 Å2
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Refinement step | Cycle: LAST / Resolution: 2.27→29.228 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2.27→2.329 Å
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