BMRB Entry 30838

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR30838
MolProbity Validation Chart

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Title:
Connecting hydrophobic surfaces in cyclic peptides increases membrane permeability
Deposition date:
2021-01-02
Original release date:
2023-10-07
Authors:
Hoang, H.
Citation:

Citation: Hoang, H.; Hill, T.; Fairlie, D.. "Connecting Hydrophobic Surfaces in Cyclic Peptides Increases Membrane Permeability."  Angew. Chem. Int. Ed. Engl. 60, 8385-8390 (2021).
PubMed: 33185961

Assembly members:

Assembly members:
entity_1, polymer, 6 residues, 744.961 Da.

Natural source:

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

Experimental source:

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: LXLLXX

Data sets:
Data typeCount
1H chemical shifts10

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
1unit_11

Entities:

Entity 1, unit_1 6 residues - 744.961 Da.

1   LEUDLELEULEUDPRN9K

Samples:

sample_1: cyclic peptide LEU-DLE-LEU-LEU-DPR-N9K 1.0 mM

sample_conditions_1: ionic strength: 0.1 mM; pH: 7.0; pressure: 1.0 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H NOESYsample_1anisotropicsample_conditions_1

Software:

X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - refinement, structure calculation

TopSpin, Bruker, Bruker Biospin - chemical shift assignment, peak picking

NMR spectrometers:

  • Bruker AVANCE 600 MHz