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- PDB-7wfc: X-ray structure of HKU1-PLP2(Cys109Ser) catalytic mutant in compl... -
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Open data
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Basic information
Entry | Database: PDB / ID: 7wfc | ||||||
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Title | X-ray structure of HKU1-PLP2(Cys109Ser) catalytic mutant in complex with free ubiquitin | ||||||
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![]() | HYDROLASE / HKU1-PLP2-Ub complex | ||||||
Function / homology | ![]() : / endoplasmic reticulum-Golgi intermediate compartment / host cell membrane / viral genome replication / symbiont-mediated suppression of host gene expression / host cell endoplasmic reticulum-Golgi intermediate compartment / 3'-5'-RNA exonuclease activity / symbiont-mediated degradation of host mRNA / symbiont-mediated suppression of host ISG15-protein conjugation / omega peptidase activity ...: / endoplasmic reticulum-Golgi intermediate compartment / host cell membrane / viral genome replication / symbiont-mediated suppression of host gene expression / host cell endoplasmic reticulum-Golgi intermediate compartment / 3'-5'-RNA exonuclease activity / symbiont-mediated degradation of host mRNA / symbiont-mediated suppression of host ISG15-protein conjugation / omega peptidase activity / symbiont-mediated perturbation of host ubiquitin-like protein modification / endonuclease activity / mRNA (nucleoside-2'-O-)-methyltransferase activity / mRNA 5'-cap (guanine-N7-)-methyltransferase activity / cysteine-type deubiquitinase activity / RNA helicase activity / single-stranded RNA binding / host cell perinuclear region of cytoplasm / viral protein processing / lyase activity / ribosome / symbiont-mediated suppression of host type I interferon-mediated signaling pathway / structural constituent of ribosome / ribonucleoprotein complex / induction by virus of host autophagy / translation / cysteine-type endopeptidase activity / RNA-dependent RNA polymerase activity / DNA-templated transcription / proteolysis / zinc ion binding / ATP binding / membrane / nucleus / cytoplasm Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() | ||||||
![]() | Xiong, Y.X. / Fu, Z.Y. / Huang, H. | ||||||
Funding support | ![]()
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![]() | ![]() Title: The substrate selectivity of papain-like proteases from human-infecting coronaviruses correlates with innate immune suppression. Authors: Xiong, Y. / Huang, B. / Yang, Y. / Fu, X. / Fu, Z. / Xu, H. / Liu, M. / Cao, D. / Zhang, M. / Yang, H. / Niu, X. / Yu, C. / Huang, H. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 96.8 KB | Display | ![]() |
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PDB format | ![]() | 69.9 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 1.1 MB | Display | ![]() |
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Full document | ![]() | 1.1 MB | Display | |
Data in XML | ![]() | 18 KB | Display | |
Data in CIF | ![]() | 25.3 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 5wfiS S: Starting model for refinement |
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Similar structure data | Similarity search - Function & homology ![]() |
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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
#1: Protein | Mass: 34550.734 Da / Num. of mol.: 1 / Mutation: C109S Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() |
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#2: Protein | Mass: 9048.358 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() |
#3: Chemical | ChemComp-ZN / |
#4: Chemical | ChemComp-EDO / |
#5: Water | ChemComp-HOH / |
Has ligand of interest | Y |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.92 Å3/Da / Density % sol: 57.81 % |
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Crystal grow | Temperature: 293 K / Method: vapor diffusion, sitting drop / pH: 7 / Details: 1.1 M Ammonium tartrate dibasic, pH 7.0 / PH range: 6.5-7.5 |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: ![]() |
Detector | Type: RIGAKU HyPix-6000HE / Detector: PIXEL / Date: Dec 20, 2021 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.54 Å / Relative weight: 1 |
Reflection | Resolution: 2.6→22.75 Å / Num. obs: 16147 / % possible obs: 99.31 % / Redundancy: 3.7 % / Biso Wilson estimate: 23.11 Å2 / CC1/2: 0.993 / CC star: 0.998 / Rmerge(I) obs: 0.09198 / Rpim(I) all: 0.05386 / Rrim(I) all: 0.1073 / Net I/σ(I): 11.77 |
Reflection shell | Resolution: 2.6→2.74 Å / Redundancy: 3.9 % / Rmerge(I) obs: 0.288 / Mean I/σ(I) obs: 4.2 / Num. unique obs: 8987 / CC1/2: 0.931 / Rpim(I) all: 0.166 / Rrim(I) all: 0.334 / % possible all: 99.5 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 5WFI Resolution: 2.6→22.75 Å / SU ML: 0.33 / Cross valid method: THROUGHOUT / σ(F): 1.34 / Phase error: 22.2 / Stereochemistry target values: ML
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL | |||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso max: 105.47 Å2 / Biso mean: 22.6006 Å2 / Biso min: 3.38 Å2 | |||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: final / Resolution: 2.6→22.75 Å
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LS refinement shell | Refine-ID: X-RAY DIFFRACTION / Rfactor Rfree error: 0 / Total num. of bins used: 6
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