+ Open data
Open data
- Basic information
Basic information
| Entry | Database: PDB / ID: 7mc9 | ||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Title | X-RAY STRUCTURE OF PEDV PAPAIN-LIKE PROTEASE 2 bound to UB-PA | ||||||||||||
|  Components | 
 | ||||||||||||
|  Keywords | HYDROLASE / coronavirus / PLP / PLP2 / papain-like protease / PEDV / UB-PA / complex / cysteine-protease | ||||||||||||
| Function / homology |  Function and homology information :  / hypothalamus gonadotrophin-releasing hormone neuron development / female meiosis I / positive regulation of protein monoubiquitination / fat pad development / mitochondrion transport along microtubule / female gonad development / seminiferous tubule development / male meiosis I / positive regulation of intrinsic apoptotic signaling pathway by p53 class mediator ...:  / hypothalamus gonadotrophin-releasing hormone neuron development / female meiosis I / positive regulation of protein monoubiquitination / fat pad development / mitochondrion transport along microtubule / female gonad development / seminiferous tubule development / male meiosis I / positive regulation of intrinsic apoptotic signaling pathway by p53 class mediator / host cell membrane / energy homeostasis / regulation of neuron apoptotic process / neuron projection morphogenesis / regulation of proteasomal protein catabolic process / Maturation of protein E / Maturation of protein E / ER Quality Control Compartment (ERQC) / Myoclonic epilepsy of Lafora / FLT3 signaling by CBL mutants / Prevention of phagosomal-lysosomal fusion / IRAK2 mediated activation of TAK1 complex / Alpha-protein kinase 1 signaling pathway / Glycogen synthesis / IRAK1 recruits IKK complex / IRAK1 recruits IKK complex upon TLR7/8 or 9 stimulation / Endosomal Sorting Complex Required For Transport (ESCRT) / Membrane binding and targetting of GAG proteins / Negative regulation of FLT3 / Regulation of TBK1, IKKε (IKBKE)-mediated activation of IRF3, IRF7  / PTK6 Regulates RTKs and Their Effectors AKT1 and DOK1 / Regulation of TBK1, IKKε-mediated activation of IRF3, IRF7 upon TLR3 ligation / Constitutive Signaling by NOTCH1 HD Domain Mutants / IRAK2 mediated activation of TAK1 complex upon TLR7/8 or 9 stimulation / NOTCH2 Activation and Transmission of Signal to the Nucleus / TICAM1,TRAF6-dependent induction of TAK1 complex / TICAM1-dependent activation of IRF3/IRF7 / APC/C:Cdc20 mediated degradation of Cyclin B / Downregulation of ERBB4 signaling / Regulation of FZD by ubiquitination / APC-Cdc20 mediated degradation of Nek2A / p75NTR recruits signalling complexes / InlA-mediated entry of Listeria monocytogenes into host cells / TRAF6 mediated IRF7 activation in TLR7/8 or 9 signaling / TRAF6-mediated induction of TAK1 complex within TLR4 complex / Regulation of pyruvate metabolism / NF-kB is activated and signals survival / Regulation of innate immune responses to cytosolic DNA / Downregulation of ERBB2:ERBB3 signaling / Pexophagy / NRIF signals cell death from the nucleus / VLDLR internalisation and degradation / Regulation of PTEN localization / Activated NOTCH1 Transmits Signal to the Nucleus / Regulation of BACH1 activity / Synthesis of active ubiquitin: roles of E1 and E2 enzymes / MAP3K8 (TPL2)-dependent MAPK1/3 activation / viral genome replication / TICAM1, RIP1-mediated IKK complex recruitment / Translesion synthesis by REV1 / InlB-mediated entry of Listeria monocytogenes into host cell / Translesion synthesis by POLK / Activation of IRF3, IRF7 mediated by TBK1, IKKε (IKBKE) / Downregulation of TGF-beta receptor signaling / JNK (c-Jun kinases) phosphorylation and  activation mediated by activated human TAK1 / Josephin domain DUBs / Translesion synthesis by POLI / IKK complex recruitment mediated by RIP1 / Regulation of activated PAK-2p34 by proteasome mediated degradation / Gap-filling DNA repair synthesis and ligation in GG-NER / positive regulation of protein ubiquitination / PINK1-PRKN Mediated Mitophagy / TGF-beta receptor signaling in EMT (epithelial to mesenchymal transition) / TNFR1-induced NF-kappa-B signaling pathway / Autodegradation of Cdh1 by Cdh1:APC/C / regulation of mitochondrial membrane potential / APC/C:Cdc20 mediated degradation of Securin / TCF dependent signaling in response to WNT / N-glycan trimming in the ER and Calnexin/Calreticulin cycle / Regulation of NF-kappa B signaling / Asymmetric localization of PCP proteins / activated TAK1 mediates p38 MAPK activation / Ubiquitin-dependent degradation of Cyclin D / SCF-beta-TrCP mediated degradation of Emi1 / NIK-->noncanonical NF-kB signaling / TNFR2 non-canonical NF-kB pathway / AUF1 (hnRNP D0) binds and destabilizes mRNA / Regulation of signaling by CBL / Negative regulators of DDX58/IFIH1 signaling / Vpu mediated degradation of CD4 / NOTCH3 Activation and Transmission of Signal to the Nucleus / Deactivation of the beta-catenin transactivating complex / Assembly of the pre-replicative complex / Ubiquitin-Mediated Degradation of Phosphorylated Cdc25A / Degradation of DVL / Negative regulation of FGFR3 signaling / Fanconi Anemia Pathway / Peroxisomal protein import / Dectin-1 mediated noncanonical NF-kB signaling / Cdc20:Phospho-APC/C mediated degradation of Cyclin A Similarity search - Function | ||||||||||||
| Biological species |  Porcine epidemic diarrhea virus  Homo sapiens (human) | ||||||||||||
| Method |  X-RAY DIFFRACTION /  SYNCHROTRON /  MOLECULAR REPLACEMENT / Resolution: 3.099 Å | ||||||||||||
|  Authors | Durie, I.A. / Dzimianski, J.V. / Daczkowski, C.M. / Pegan, S.D. | ||||||||||||
| Funding support |  United States, 3items 
 | ||||||||||||
|  Citation |  Journal: Acta Cryst. D / Year: 2021 Title: Structural insights into the interaction of papain-like protease 2 from the alphacoronavirus porcine epidemic diarrhea virus and ubiquitin Authors: Durie, I.A. / Dzimianski, J.V. / Daczkowski, C.M. / McGuire, J. / Faaberg, K. / Pegan, S.D. | ||||||||||||
| History | 
 | 
- Structure visualization
Structure visualization
| Structure viewer | Molecule:  Molmil  Jmol/JSmol | 
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- Downloads & links
Downloads & links
- Download
Download
| PDBx/mmCIF format |  7mc9.cif.gz | 473.3 KB | Display |  PDBx/mmCIF format | 
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| PDB format |  pdb7mc9.ent.gz | 387.6 KB | Display |  PDB format | 
| PDBx/mmJSON format |  7mc9.json.gz | Tree view |  PDBx/mmJSON format | |
| Others |  Other downloads | 
-Validation report
| Summary document |  7mc9_validation.pdf.gz | 519.5 KB | Display |  wwPDB validaton report | 
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| Full document |  7mc9_full_validation.pdf.gz | 535.7 KB | Display | |
| Data in XML |  7mc9_validation.xml.gz | 91 KB | Display | |
| Data in CIF |  7mc9_validation.cif.gz | 113.8 KB | Display | |
| Arichive directory |  https://data.pdbj.org/pub/pdb/validation_reports/mc/7mc9  ftp://data.pdbj.org/pub/pdb/validation_reports/mc/7mc9 | HTTPS FTP | 
-Related structure data
| Related structure data |  6nozS S: Starting model for refinement | 
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| Similar structure data | 
- Links
Links
- Assembly
Assembly
- Components
Components
| #1: Protein | Mass: 25812.311 Da / Num. of mol.: 8 / Fragment: Peptidase C16 domain, residues 1690-1922 Source method: isolated from a genetically manipulated source Source: (gene. exp.)  Porcine epidemic diarrhea virus / Gene: ORF1ab Production host:   Escherichia coli 'BL21-Gold(DE3)pLysS AG' (bacteria) References: UniProt: A0A0S3MQV7, ubiquitinyl hydrolase 1, DNA helicase, RNA helicase #2: Protein | Mass: 8519.778 Da / Num. of mol.: 8 Source method: isolated from a genetically manipulated source Source: (gene. exp.)  Homo sapiens (human) / Gene: UBB / Production host:   Escherichia coli (E. coli) / References: UniProt: P0CG47 #3: Chemical | ChemComp-ZN / #4: Chemical | ChemComp-AYE / #5: Water | ChemComp-HOH / | Has ligand of interest | N | Has protein modification | Y |  | 
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-Experimental details
-Experiment
| Experiment | Method:  X-RAY DIFFRACTION / Number of used crystals: 1 | 
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- Sample preparation
Sample preparation
| Crystal | Density Matthews: 2.38 Å3/Da / Density % sol: 48.28 % | 
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| Crystal grow | Temperature: 293 K / Method: vapor diffusion, hanging drop / Details: 0.30M MgCl2, 0.1M Tris, and 16% PEG 4k | 
-Data collection
| Diffraction | Mean temperature: 100 K / Serial crystal experiment: N | 
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| Diffraction source | Source:  SYNCHROTRON / Site:  NSLS-II  / Beamline: 17-ID-1 / Wavelength: 1 Å | 
| Detector | Type: DECTRIS EIGER X 16M / Detector: PIXEL / Date: Oct 30, 2018 | 
| Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray | 
| Radiation wavelength | Wavelength: 1 Å / Relative weight: 1 | 
| Reflection | Resolution: 3.099→49.069 Å / Num. obs: 46738 / % possible obs: 97.21 % / Redundancy: 6.1 % / CC1/2: 0.972 / CC star: 0.993 / Net I/σ(I): 4.66 | 
| Reflection shell | Resolution: 3.099→3.21 Å / Redundancy: 5.6 % / Rmerge(I) obs: 0.849 / Mean I/σ(I) obs: 1 / Num. unique obs: 4185 / CC1/2: 0.614 / CC star: 0.872 / Rrim(I) all: 0.936 / Χ2: 0.345 / % possible all: 88.58 | 
- Processing
Processing
| Software | 
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| Refinement | Method to determine structure:  MOLECULAR REPLACEMENT Starting model: 6NOZ Resolution: 3.099→49.069 Å / SU ML: 0.43 / Cross valid method: THROUGHOUT / σ(F): 1.34 / Phase error: 25.6 / 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: 140.34 Å2 / Biso mean: 53.9069 Å2 / Biso min: 13.03 Å2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Refinement step | Cycle: final / Resolution: 3.099→49.069 Å 
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| LS refinement shell | Refine-ID: X-RAY DIFFRACTION / Rfactor Rfree error: 0 
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