BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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BMRB Entry 36228

Title: Three-dimensional Solution NMR Structure of KYE28-PEG48 in Microgel

Deposition date: 2018-12-27 Original release date: 2019-01-14

Authors: Ilyas, H.; Bhunia, A.

Citation: Nordstrom, Randi; Nystrom, Lina; Ilyas, Humaira; Atreya, Hanudatta S.; Borro, Bruno C.; Bhunia, Anirban; Malmsten, Martin. "Microgels as carriers of antimicrobial peptides - Effects of peptide PEGylation."  Colloids Surf. A Physicochem. Eng. Asp. 565, 8-15 (2019).

Assembly members:
Heparin cofactor 2, polymer, 28 residues, 3604.239 Da.

Natural source:   Common Name: Human   Taxonomy ID: 9606   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Homo sapiens

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):
Heparin cofactor 2: KYEITTIHNLFRKLTHRLFR RNFGYTLR

Data sets:
Data typeCount
1H chemical shifts172

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11

Entities:

Entity 1, entity_1 28 residues - 3604.239 Da.

1   LYSTYRGLUILETHRTHRILEHISASNLEU
2   PHEARGLYSLEUTHRHISARGLEUPHEARG
3   ARGASNPHEGLYTYRTHRLEUARG

Samples:

sample_1: KYE28-PEG48 1 mM; H2O 90%; D2O, [U-2H], 10%

sample_conditions_1: ionic strength: 1 mM; pH: 4.52; pressure: 1 atm; temperature: 298 K

Experiments:

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

Software:

CYANA vv2.1, Guntert, Mumenthaler and Wuthrich - refinement, structure calculation

SPARKY, Goddard - chemical shift assignment

TOPSPIN v3.4, Bruker Biospin - processing

TOPSPIN v3.5, Bruker Biospin - data analysis

NMR spectrometers:

  • Bruker Bruker Avance III 700 MHz