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- PDB-5wzu: Crystal structure of human secreted phospholipase A2 group IIE wi... -
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Open data
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Basic information
Entry | Database: PDB / ID: 5wzu | ||||||
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Title | Crystal structure of human secreted phospholipase A2 group IIE with Compound 24 | ||||||
![]() | Group IIE secretory phospholipase A2 | ||||||
![]() | HYDROLASE/INHIBITOR / phospholipase A2 / HYDROLASE-INHIBITOR complex | ||||||
Function / homology | ![]() Acyl chain remodelling of PG / Acyl chain remodelling of PC / Acyl chain remodelling of PI / Acyl chain remodelling of PS / Acyl chain remodelling of PE / Synthesis of PA / phosphatidylglycerol metabolic process / phosphatidylcholine metabolic process / phospholipase A2 activity / low-density lipoprotein particle remodeling ...Acyl chain remodelling of PG / Acyl chain remodelling of PC / Acyl chain remodelling of PI / Acyl chain remodelling of PS / Acyl chain remodelling of PE / Synthesis of PA / phosphatidylglycerol metabolic process / phosphatidylcholine metabolic process / phospholipase A2 activity / low-density lipoprotein particle remodeling / calcium-dependent phospholipase A2 activity / phospholipase A2 / arachidonic acid secretion / phospholipid metabolic process / lipid catabolic process / negative regulation of T cell proliferation / phospholipid binding / inflammatory response / calcium ion binding / extracellular region / cytoplasm Similarity search - Function | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() | ||||||
![]() | Hou, S. / Xu, J. / Xu, T. / Liu, J. | ||||||
![]() | ![]() Title: Structural basis for functional selectivity and ligand recognition revealed by crystal structures of human secreted phospholipase A2 group IIE Authors: Hou, S. / Xu, T. / Xu, J. / Qu, L. / Xu, Y. / Chen, L. / Liu, J. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 44.5 KB | Display | ![]() |
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PDB format | ![]() | 28.8 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 755.4 KB | Display | ![]() |
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Full document | ![]() | 756.9 KB | Display | |
Data in XML | ![]() | 8.9 KB | Display | |
Data in CIF | ![]() | 11.5 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 5wzmSC ![]() 5wzoC ![]() 5wzsC ![]() 5wztC ![]() 5wzvC ![]() 5wzwC ![]() 5y5eC 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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1 |
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Unit cell |
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Components
-Protein , 1 types, 1 molecules A
#1: Protein | Mass: 13986.137 Da / Num. of mol.: 1 / Fragment: UNP residues 20-142 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() |
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-Non-polymers , 6 types, 97 molecules ![](data/chem/img/CA.gif)
![](data/chem/img/7W3.gif)
![](data/chem/img/DMS.gif)
![](data/chem/img/GOL.gif)
![](data/chem/img/CL.gif)
![](data/chem/img/HOH.gif)
![](data/chem/img/7W3.gif)
![](data/chem/img/DMS.gif)
![](data/chem/img/GOL.gif)
![](data/chem/img/CL.gif)
![](data/chem/img/HOH.gif)
#2: Chemical | ChemComp-CA / | ||
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#3: Chemical | ChemComp-7W3 / | ||
#4: Chemical | ChemComp-DMS / | ||
#5: Chemical | ChemComp-GOL / | ||
#6: Chemical | #7: Water | ChemComp-HOH / | |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 3.34 Å3/Da / Density % sol: 63.15 % / Mosaicity: 0.99 ° |
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Crystal grow | Temperature: 277 K / Method: vapor diffusion / Details: 2.2M Sodium chloride, 0.1M BIS-TRIS propane pH 7.0 |
-Data collection
Diffraction | Mean temperature: 110 K |
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Diffraction source | Source: ![]() |
Detector | Type: OXFORD RUBY CCD / Detector: CCD / Date: Sep 29, 2014 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.5406 Å / Relative weight: 1 |
Reflection | Resolution: 2.2→18.48 Å / Num. obs: 9973 / % possible obs: 99.8 % / Redundancy: 9.9 % / CC1/2: 0.998 / Rmerge(I) obs: 0.097 / Rpim(I) all: 0.032 / Rrim(I) all: 0.102 / Net I/σ(I): 20.2 |
Reflection shell | Resolution: 2.2→2.27 Å / Redundancy: 9.4 % / Rmerge(I) obs: 0.412 / CC1/2: 0.956 / Rpim(I) all: 0.14 / Rrim(I) all: 0.436 / % possible all: 100 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 5WZM Resolution: 2.2→18.48 Å / Cor.coef. Fo:Fc: 0.934 / Cor.coef. Fo:Fc free: 0.892 / SU B: 4.674 / SU ML: 0.118 / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R: 0.208 / ESU R Free: 0.183 Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS U VALUES : REFINED INDIVIDUALLY
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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 max: 82.34 Å2 / Biso mean: 29.379 Å2 / Biso min: 6.44 Å2
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Refinement step | Cycle: final / Resolution: 2.2→18.48 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2.2→2.256 Å / Rfactor Rfree error: 0 / Total num. of bins used: 20
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