+Open data
-Basic information
Entry | Database: PDB / ID: 7nxi | ||||||||||||
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Title | PAF-D19S in 50 v/v % DMSO-water solution | ||||||||||||
Components | Pc24g00380 protein | ||||||||||||
Keywords | ANTIMICROBIAL PROTEIN / DISULPHIDE PROTEIN / PAF D19S MUTANT / SOLUTION STRUCTURE / STRUCTURE FROM CYANA 2.1 | ||||||||||||
Function / homology | Antifungal protein / Antifungal protein domain superfamily / Antifungal protein / defense response to fungus / killing of cells of another organism / Pc24g00380 protein Function and homology information | ||||||||||||
Biological species | Penicillium rubens | ||||||||||||
Method | SOLUTION NMR / simulated annealing | ||||||||||||
Authors | Czajlik, A. / Batta, G. | ||||||||||||
Funding support | Hungary, 3items
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Citation | Journal: Int J Mol Sci / Year: 2023 Title: DMSO-Induced Unfolding of the Antifungal Disulfide Protein PAF and Its Inactive Variant: A Combined NMR and DSC Study. Authors: Czajlik, A. / Batta, A. / Kerner, K. / Fizil, A. / Hajdu, D. / Raics, M. / Kover, K.E. / Batta, G. | ||||||||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 7nxi.cif.gz | 383.1 KB | Display | PDBx/mmCIF format |
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PDB format | pdb7nxi.ent.gz | 323.9 KB | Display | PDB format |
PDBx/mmJSON format | 7nxi.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 7nxi_validation.pdf.gz | 459.2 KB | Display | wwPDB validaton report |
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Full document | 7nxi_full_validation.pdf.gz | 659.6 KB | Display | |
Data in XML | 7nxi_validation.xml.gz | 40.7 KB | Display | |
Data in CIF | 7nxi_validation.cif.gz | 41.8 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/nx/7nxi ftp://data.pdbj.org/pub/pdb/validation_reports/nx/7nxi | HTTPS FTP |
-Related structure data
Related structure data | 7pgdC C: citing same article (ref.) |
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Similar structure data | Similarity search - Function & homologyF&H Search |
Other databases |
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-Links
-Assembly
Deposited unit |
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1 |
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NMR ensembles |
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-Components
#1: Protein | Mass: 6235.089 Da / Num. of mol.: 1 / Mutation: D19S Source method: isolated from a genetically manipulated source Source: (gene. exp.) Penicillium rubens (strain ATCC 28089 / DSM 1075 / NRRL 1951 / Wisconsin 54-1255) (fungus) Gene: Pc24g00380, PCH_Pc24g00380 / Plasmid: pSK275pafD19S Production host: Penicillium rubens Wisconsin 54-1255 (fungus) Strain (production host): PAF_D19S / References: UniProt: B6HWK0 |
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-Experimental details
-Experiment
Experiment | Method: SOLUTION NMR | ||||||||||||||||||||||||||||||||||||||||||||||||
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NMR experiment |
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-Sample preparation
Details | Type: solution Contents: 20 mM [U-100% 2H] acetic acid, 50 % v/v H2O, 50 % v/v [U-100% 2H] DMSO, 1.7 mM [U-100% 15N] PAF D19S, 50% H2O/50% DMSO Details: 5 mm sample tube, 500 ul volume / Label: 15_sample / Solvent system: 50% H2O/50% DMSO | ||||||||||||||||||||
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Sample |
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Sample conditions | Ionic strength: 0.007 M / Ionic strength err: 0.0007 / Label: conditions_1 / pH: 4.5 / PH err: 0.05 / Pressure: 1 atm / Pressure err: 0.01 / Temperature: 298 K / Temperature err: 1 |
-NMR measurement
NMR spectrometer | Type: Bruker AVANCE III / Manufacturer: Bruker / Model: AVANCE III / Field strength: 700 MHz |
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-Processing
NMR software |
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Refinement | Method: simulated annealing / Software ordinal: 4 | ||||||||||||||||||||
NMR representative | Selection criteria: closest to the average | ||||||||||||||||||||
NMR ensemble | Conformer selection criteria: all calculated structures submitted Conformers calculated total number: 20 / Conformers submitted total number: 20 |