BMRB Entry 34405

Title:
NMR structure of pleurocidin VA in SDS micelles
Deposition date:
2019-05-21
Original release date:
2020-12-04
Authors:
Manzo, G.; Mason, A.
Citation:

Citation: Manzo, Giorgia; Hind, Charlotte; Ferguson, Philip; Amison, Richard; Hodgson-Casson, Alice; Ciazynska, Katarzyna; Weller, Bethany; Clarke, Maria; Lam, Carolyn; Man, Rico; Shaughnessy, Blaze; Clifford, Melanie; Bui, Tam; Drake, Alex; Atkinson, R Andrew; Lam, Jenny; Pitchford, Simon; Page, Clive; Phoenix, David; Lorenz, Christian; Sutton, J Mark; Mason, A James. "A pleurocidin analogue with greater conformational flexibility, enhanced antimicrobial potency and in vivo therapeutic efficacy"  Commun. Biol. 3, 697-697 (2020).
PubMed: 33247193

Assembly members:

Assembly members:
entity_1, polymer, 25 residues, 2662.077 Da.

Natural source:

Natural source:   Common Name: Winter flounder   Taxonomy ID: 8265   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Pseudopleuronectes americanus

Experimental source:

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: GWGSFFKKAAHAGKHAGKAA LTHYL

Data sets:
Data typeCount
1H chemical shifts116

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1unit_11

Entities:

Entity 1, unit_1 25 residues - 2662.077 Da.

1   GLYTRPGLYSERPHEPHELYSLYSALAALA
2   HISALAGLYLYSHISALAGLYLYSALAALA
3   LEUTHRHISTYRLEU

Samples:

sample_1: Pleurocidin VA 0.5 mM; deuterated sodium dodecyl sulphate (SDS-d25), [U-98% 2D], 50 mM; Tris(hydroxymethyl-d3)-amino-d2-methane, [U-98% 2D], 5 mM; 3-(trimethylsilyl)propionic-2,2,3,3-d4 acid, sodium salt, [U-99.9% 2D], 0.05 % w/w

sample_conditions_1: pH: 7.00; pressure: 1 atm; temperature: 310 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1

Software:

TopSpin, Bruker Biospin - processing

CARA, Keller and Wuthrich - chemical shift assignment

NMRDraw, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - peak picking

DYNAMO, Delaglio and Kuszewski - structure calculation

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - refinement

NMR spectrometers:

  • Bruker Avance 800 MHz