BMRB Entry 34655

Title:
PAF in 50 v/v % DMSO-water solution
Deposition date:
2021-08-13
Original release date:
2022-08-22
Authors:
Czajlik, A.; Batta, G.
Citation:

Citation: Czajlik, Andras; Batta, Agnes; Kerner, Kinga; Fizil, Adam; Hajdu, Dorottya; Raics, Maria; Kover, Katalin; Batta, Gyula. "DMSO-Induced Unfolding of the Antifungal Disulfide Protein PAF and Its Inactive Variant: A Combined NMR and DSC Study"  Int. J. Mol. Sci. 24, 1208-1208 (2023).
PubMed: 36674720

Assembly members:

Assembly members:
entity_1, polymer, 55 residues, 6263.099 Da.

Natural source:

Natural source:   Common Name: Penicillium chrysogenum   Taxonomy ID: 500485   Superkingdom: Eukaryota   Kingdom: Fungi   Genus/species: Penicillium chrysogenum

Experimental source:

Experimental source:   Production method: purified from the natural source

Entity Sequences (FASTA):

Data sets:
Data typeCount
15N chemical shifts60
1H chemical shifts328

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1unit_11

Entities:

Entity 1, unit_1 55 residues - 6263.099 Da.

1   ALALYSTYRTHRGLYLYSCYSTHRLYSSER
2   LYSASNGLUCYSLYSTYRLYSASNASPALA
3   GLYLYSASPTHRPHEILELYSCYSPROLYS
4   PHEASPASNLYSLYSCYSTHRLYSASPASN
5   ASNLYSCYSTHRVALASPTHRTYRASNASN
6   ALAVALASPCYSASP

Samples:

sample_1: acetic acid, [U-100% 2H], 20 mM; H2O 50 % v/v; DMSO, [U-2H], 50 % v/v; PAF, [U-100% 15N], 1.7 mM

sample_conditions_1: ionic strength: 0.007 M; pH: 4.5; pressure: 1 atm; temperature: 310 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
3D HNHAsample_1isotropicsample_conditions_1
3D HNHBsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-15N TOCSYsample_1isotropicsample_conditions_1

Software:

TopSpin v3.1, Bruker Biospin - processing

CcpNmr Analysis v2.4.2, CCPN - chemical shift assignment, peak picking

CYANA v2.1, Guntert, Mumenthaler and Wuthrich - refinement, structure calculation

NMR spectrometers:

  • Bruker AVANCE III 700 MHz

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks